Molecule Details

SAD-SAT-edc8a235-9 View Submission
N#CCS(N)(=O)=O
Molecular Properties
SMILES:
N#CCS(N)(=O)=O
MW: 120.0
Fraction sp3: 0.5
HBA: 3
HBD: 1
Rotatable Bonds: 1
TPSA: 83.95
cLogP: -1.2
Covalent Warhead: ✗
Covalent Fragment: ✔️
Source
Enamine BB: EN300-131563
Mcule: MCULE-3243670490
MolPort: MolPort-013-979-101

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

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CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CS(=O)(=O)CC#N

MAK-UNK-95198336-15
0.500

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CS(=O)(=O)CCC#N

MAK-UNK-95198336-14
0.320

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N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.304

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N#CC(C(F)(F)F)S(N)(=O)=O

ABI-SAT-e641dd33-2
0.296

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CC(C#N)S(C)(=O)=O

ABI-SAT-e641dd33-1
0.292

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N#CCS(=O)(=O)C1CN=CN1

ABI-SAT-37d087dc-1
0.270

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N#CCF

ABI-SAT-2adc218e-7
0.263

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CC(N)CC#N

ABI-SAT-3cb25904-1
0.250

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CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.241

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N#CCCS(=O)(=O)c1ccc(N)cc1

MAR-TRE-0fda4e82-50
0.231

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N#CCCS(=O)(=O)c1ccc(Br)cc1

MAR-TRE-1c920f6f-80
0.231

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CC(C)=CCCS(N)(=O)=O

MAK-UNK-53da93bf-4
0.226

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N#CCNC(=O)c1ccccc1S(N)(=O)=O

WIL-NOV-649f4ed0-4
0.217

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.217

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CS(=O)(=O)C(C#N)C(F)(F)F

ABI-SAT-e641dd33-3
0.214

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CN(CCC#N)CC(=O)Nc1ccc(S(N)(=O)=O)cc1

MAR-TRE-a3327163-68
0.208

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CS(=O)(=O)C1CC1C#N

MAK-UNK-95198336-13
0.200

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N#CCCS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-72
0.200

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CC1C(C#N)C1S(C)(=O)=O

ABI-SAT-3cb25904-5
0.200

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N#CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

MAR-TRE-6c5ef77a-6
0.200

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.200

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N#CCNS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-71
0.195

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NS(=O)(=O)c1ccc(Br)cc1

AAR-POS-d2a4d1df-15
0.194

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COc1ccc(S(=O)(=O)NCC#N)cc1

MAR-TRE-0fda4e82-41
0.190

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N#CCC(=O)c1ccc(N)cc1

MAR-TRE-1c920f6f-89
0.189

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CS(=O)(=O)C1CC(C#N)C1

MAK-UNK-95198336-12
0.188

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CS(=O)(=O)C1CCC(CF)C(C#N)C1

ABI-SAT-ddc50085-3
0.186

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N#CCCS(=O)(=O)c1ccc(Cl)c(Cl)c1

MAR-TRE-0fda4e82-55
0.186

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N#CC(F)C(N)=O

ASH-UNK-e28bb067-2
0.185

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CS(=O)(=O)NCc1cc(C#N)cnc1N

MAR-UNI-9d4da90d-2
0.184

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N#CCN(CC#N)S(=O)(=O)Cc1ccc(Cl)cc1

MAR-TRE-1c920f6f-28
0.182

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Cc1ccc(S(=O)(=O)CCC#N)cc1C

MAR-TRE-14ce9fd6-94
0.182

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CC(=O)Nc1ccc(S(=O)(=O)N(C)CCC#N)cc1

MAR-TRE-a3327163-57
0.180

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CS(=O)(=O)CC1CCC(C#N)C1

ABI-SAT-3cb25904-2
0.179

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NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.179

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N#CCCS(=O)(=O)c1cc(Cl)ccc1Cl

MAR-TRE-6c5ef77a-44
0.178

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C#CCN(CC#N)S(=O)(=O)c1ccccc1

MAK-UNK-be3f299e-4
0.178

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CC(C#N)C(C(=O)N1CCN(C(=O)CCl)CC1)S(N)(=O)=O

SAD-SAT-89668ff1-8
0.176

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CCNCC(O)S(N)(=O)=O

MAK-UNK-53da93bf-1
0.176

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Cc1cc(F)ccc1CS(N)(=O)=O

AAR-POS-0daf6b7e-46
0.175

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N#CCNC(=O)c1cc(N2CCOCC2)ccc1S(N)(=O)=O

WIL-NOV-649f4ed0-2
0.175

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Cc1ccc(S(=O)(=O)NC(=O)CC#N)cc1

MAR-TRE-14ce9fd6-26
0.174

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N#CCC(=O)NS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-0fda4e82-48
0.174

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CCNc1ccc(C#N)c2ccc(S(N)(=O)=O)cc12

PET-SGC-6062269a-1
0.173

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.172

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.171

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N#CCSCC(=O)Nc1ccc(Br)cc1

MAR-TRE-14ce9fd6-68
0.170

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N#Cc1ccc2[nH]c(S(N)(=O)=O)cc2c1

JOH-MSK-1fa17de7-1
0.170

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.167

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.167

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CC#N

MAK-UNK-4b073b5c-7
0.167

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N#CCl

MAK-UNK-4b073b5c-9
0.167

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N#CCC1CCS(=O)(=O)C1

MAR-TRE-14ce9fd6-99
0.167

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N#CC(C(F)(F)F)S(=O)(=O)C1CC1

ABI-SAT-e641dd33-5
0.167

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CC(C)(C#N)NC(=O)c1ccccc1S(N)(=O)=O

WIL-NOV-649f4ed0-6
0.163

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CC(=O)Nc1ccc(NCCC#N)cc1

MAR-TRE-6c5ef77a-62
0.163

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N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.162

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N#CC1C(O)C1C(N)=O

ABI-SAT-2adc218e-9
0.161

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.160

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N#CC1CC(Nc2ccc(S(N)(=O)=O)cc2)CN(C(=O)CCl)C1

SAD-SAT-89668ff1-4
0.159

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N#Cc1cc(O)cc(COC(=O)c2ccc(S(N)(=O)=O)cc2)c1

ANG-FNM-4baa7e20-1
0.158

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CS(=O)(=O)C1=C(Cl)CC(C#N)C1

ABI-SAT-128a7dc3-7
0.158

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CCN(CC)c1ccc(S(N)(=O)=O)cc1

LIZ-THE-57c545eb-1
0.158

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COc1ccc(NC(=O)CSCC#N)cc1

MAR-TRE-a3327163-40
0.157

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N#CC1(NC(=O)c2ccccc2S(N)(=O)=O)CC1

WIL-NOV-649f4ed0-3
0.157

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CC1C(C#N)C1C(N)=O

ABI-SAT-2adc218e-5
0.156

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CS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)n1

ABI-SAT-ddc50085-4
0.156

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Cc1cc(CC(C)C)ccc1CS(N)(=O)=O

JOH-IMS-54aa76a2-4
0.156

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.154

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N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.154

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.154

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Cc1c(CS(N)(=O)=O)ccc(F)c1CO

JOH-IMS-54aa76a2-3
0.152

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Cc1c(CS(N)(=O)=O)ccc(F)c1C(F)F

JOH-IMS-54aa76a2-1
0.152

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N#CCCn1c(=O)n(CCC#N)c2ccccc21

MAR-TRE-a3327163-52
0.150

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N#CCC(=O)n1ccn(C(=O)CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-81
0.150

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Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1

MAR-TRE-1c920f6f-95
0.149

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CCNc1sc(C(C)=O)c(N)c1C#N

MAR-TRE-6c5ef77a-79
0.149

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COc1ccc(CCC(=O)NCC#N)cc1

MAR-TRE-1c920f6f-59
0.149

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NC1C(=O)C1CO

ABI-SAT-2adc218e-6
0.148

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CCOC(=O)CC(Nc1cncnc1)C(C#N)C#N

MAR-TRE-85681e92-37
0.148

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CC1(C)CC(=O)C(CCC#N)C(=O)C1

MAR-TRE-14ce9fd6-98
0.146

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N#CCSCC(=O)Nc1ccc(Cl)cc1

MAR-TRE-a3327163-48
0.146

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CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(CF)cc1

VIJ-CYC-1a381570-12
0.146

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N#CCSCC(=O)Nc1ccc(F)cc1

MAR-TRE-a3327163-54
0.143

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N#CCSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1

MAR-TRE-1c920f6f-2
0.143

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CCc1ccc(NC(=O)CSCC#N)cc1

MAR-TRE-14ce9fd6-59
0.143

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Cc1ccc(NC(=O)CSCC#N)cc1

MAR-TRE-14ce9fd6-78
0.143

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N#CCNC(=O)COc1ccc(Cl)cc1

MAR-TRE-6c5ef77a-57
0.143

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COc1ccc(S(N)(=O)=O)cc1

LIZ-THE-6efed59f-3
0.143

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N#Cc1ccc(SCC2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1

WAR-XCH-b72a1bbc-34
0.143

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CC[Si](C)(C)Oc1ccc(S(N)(=O)=O)cc1

LIZ-THE-6efed59f-2
0.143

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CCNc1ncc(C#N)cc1N(C)c1ccc(S(N)(=O)=O)cc1

GAB-REV-df64cf17-17
0.143

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CCOC(=O)c1csc(CC#N)n1

MAR-TRE-6c5ef77a-87
0.140

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N#CCN1CCN(CC(=O)c2ccc(Br)cc2)CC1

MAR-TRE-0fda4e82-39
0.140

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CCCCc1c(F)ccc(CS(N)(=O)=O)c1C

JOH-IMS-54aa76a2-2
0.140

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N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.140

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CC(=O)CC(=O)c1nnc(C#N)s1

ABI-SAT-897caeb8-4
0.140

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CC(=O)NCc1ccc(S(N)(=O)=O)cc1

AAR-POS-0daf6b7e-45
0.140

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N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.139

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N#CCn1ccn(CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-72
0.139

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Discussion:

Contributor: Sadit Joarder, SATEC - Fri, 22 May 2020 15:33:13 +0000