(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide

C19H27ClN2O3S — CID 51617060

IUPAC(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-21(17-7-3-2-4-8-17)19(23)15-6-5-13-22(14-15)26(24,25)18-11-9-16(20)10-12-18/h9-12,15,17H,2-8,13-14H2,1H3/t15-/m0/s1
InChIKeyWPIFQEZNYKGGPC-HNNXBMFYSA-N
MW398.96 g/mol
LogP3.53
Rot. Bonds4

About (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide

(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide (PubChem CID 51617060) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
PubChem CID51617060
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-21(17-7-3-2-4-8-17)19(23)15-6-5-13-22(14-15)26(24,25)18-11-9-16(20)10-12-18/h9-12,15,17H,2-8,13-14H2,1H3/t15-/m0/s1
InChIKeyWPIFQEZNYKGGPC-HNNXBMFYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
CID 3883409
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
(3R)-N-cyclopentyl-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide
CID 28580447
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide (CID 51617060) is (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide is CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C1CCCCC1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide?
The InChIKey is WPIFQEZNYKGGPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-21(17-7-3-2-4-8-17)19(23)15-6-5-13-22(14-15)26(24,25)18-11-9-16(20)10-12-18/h9-12,15,17H,2-8,13-14H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 51617060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).