(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride

C37H57Cl3N4O7S2 — CID 158156525

IUPAC(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride
SMILESC.CC1CCCC1N.CC1CCCC1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.Cl.O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN2O3S.C12H14ClNO4S.C6H13N.CH4.ClH/c1-13-6-4-9-16(13)20-18(22)14-7-5-11-21(12-14)25(23,24)17-10-3-2-8-15(17)19;13-10-5-1-2-6-11(10)19(17,18)14-7-3-4-9(8-14)12(15)16;1-5-3-2-4-6(5)7;;/h2-3,8,10,13-14,16H,4-7,9,11-12H2,1H3,(H,20,22);1-2,5-6,9H,3-4,7-8H2,(H,15,16);5-6H,2-4,7H2,1H3;1H4;1H/t13?,14-,16?;9-;;;/m00.../s1
InChIKeyOOQOURWFTDLFNX-GFRSPGQRSA-N
MW840.38 g/mol
LogP7.06
Rot. Bonds7

About (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride

(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride (PubChem CID 158156525) has the molecular formula C37H57Cl3N4O7S2 and a molecular weight of 840.38 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride
PubChem CID158156525
Molecular FormulaC37H57Cl3N4O7S2
Molecular Weight840.38 g/mol
Exact Mass838.27
IUPAC Name(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride
SMILESC.CC1CCCC1N.CC1CCCC1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.Cl.O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN2O3S.C12H14ClNO4S.C6H13N.CH4.ClH/c1-13-6-4-9-16(13)20-18(22)14-7-5-11-21(12-14)25(23,24)17-10-3-2-8-15(17)19;13-10-5-1-2-6-11(10)19(17,18)14-7-3-4-9(8-14)12(15)16;1-5-3-2-4-6(5)7;;/h2-3,8,10,13-14,16H,4-7,9,11-12H2,1H3,(H,20,22);1-2,5-6,9H,3-4,7-8H2,(H,15,16);5-6H,2-4,7H2,1H3;1H4;1H/t13?,14-,16?;9-;;;/m00.../s1
InChIKeyOOQOURWFTDLFNX-GFRSPGQRSA-N
XLogP7.06
TPSA167.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.38
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
N-[2-(aminomethyl)cyclopentyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 119603072
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
CID 58702073
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11940162
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
CID 156601462

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride?
The IUPAC name of (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride (CID 158156525) is (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride is C.CC1CCCC1N.CC1CCCC1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.Cl.O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride?
The InChIKey is OOQOURWFTDLFNX-GFRSPGQRSA-N. The full InChI is InChI=1S/C18H25ClN2O3S.C12H14ClNO4S.C6H13N.CH4.ClH/c1-13-6-4-9-16(13)20-18(22)14-7-5-11-21(12-14)25(23,24)17-10-3-2-8-15(17)19;13-10-5-1-2-6-11(10)19(17,18)14-7-3-4-9(8-14)12(15)16;1-5-3-2-4-6(5)7;;/h2-3,8,10,13-14,16H,4-7,9,11-12H2,1H3,(H,20,22);1-2,5-6,9H,3-4,7-8H2,(H,15,16);5-6H,2-4,7H2,1H3;1H4;1H/t13?,14-,16?;9-;;;/m00.../s1.
What are the key properties of (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride?
(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride has a molecular weight of 840.38 g/mol, XLogP of 7.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 158156525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).