(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide

C19H27ClN2O3S — CID 92641525

IUPAC(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H27ClN2O3S/c20-18-11-5-4-7-16(18)14-26(24,25)22-12-6-8-15(13-22)19(23)21-17-9-2-1-3-10-17/h4-5,7,11,15,17H,1-3,6,8-10,12-14H2,(H,21,23)/t15-/m0/s1
InChIKeyJAVSLXVITPKAFN-HNNXBMFYSA-N
MW398.96 g/mol
LogP3.33
Rot. Bonds5

About (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 92641525) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
PubChem CID92641525
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C19H27ClN2O3S/c20-18-11-5-4-7-16(18)14-26(24,25)22-12-6-8-15(13-22)19(23)21-17-9-2-1-3-10-17/h4-5,7,11,15,17H,1-3,6,8-10,12-14H2,(H,21,23)/t15-/m0/s1
InChIKeyJAVSLXVITPKAFN-HNNXBMFYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641524
(3S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 98699611
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopentylpiperidine-3-carboxamide
CID 92641664
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641545
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 92641554
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641636
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50809028
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 92641774
(3R)-N-(3-acetylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641632

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide (CID 92641525) is (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is JAVSLXVITPKAFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c20-18-11-5-4-7-16(18)14-26(24,25)22-12-6-8-15(13-22)19(23)21-17-9-2-1-3-10-17/h4-5,7,11,15,17H,1-3,6,8-10,12-14H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 92641525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).