(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

C18H25ClN2O3S — CID 11689546

IUPAC(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyWTKUGAUSIFXIGA-AWEZNQCLSA-N
MW384.93 g/mol
LogP3.11
Rot. Bonds4

About (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide

(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (PubChem CID 11689546) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
PubChem CID11689546
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyWTKUGAUSIFXIGA-AWEZNQCLSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide (CID 11689546) is (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
The InChIKey is WTKUGAUSIFXIGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-13-16(19)9-4-10-17(13)25(23,24)21-11-5-6-14(12-21)18(22)20-15-7-2-3-8-15/h4,9-10,14-15H,2-3,5-8,11-12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide?
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclopentylpiperidine-3-carboxamide is sourced from PubChem (CID 11689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).