1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide

C22H33N3O4S — CID 40961479

IUPAC1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O4S/c1-17-7-5-6-10-20(17)24-21(26)11-14-23-22(27)18-12-15-25(16-13-18)30(28,29)19-8-3-2-4-9-19/h2-4,8-9,17-18,20H,5-7,10-16H2,1H3,(H,23,27)(H,24,26)/t17-,20+/m1/s1
InChIKeyXNKMLYQZHDGCHQ-XLIONFOSSA-N
MW435.59 g/mol
LogP2.29
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 40961479) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide
PubChem CID40961479
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H33N3O4S/c1-17-7-5-6-10-20(17)24-21(26)11-14-23-22(27)18-12-15-25(16-13-18)30(28,29)19-8-3-2-4-9-19/h2-4,8-9,17-18,20H,5-7,10-16H2,1H3,(H,23,27)(H,24,26)/t17-,20+/m1/s1
InChIKeyXNKMLYQZHDGCHQ-XLIONFOSSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide (CID 40961479) is 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is XNKMLYQZHDGCHQ-XLIONFOSSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-17-7-5-6-10-20(17)24-21(26)11-14-23-22(27)18-12-15-25(16-13-18)30(28,29)19-8-3-2-4-9-19/h2-4,8-9,17-18,20H,5-7,10-16H2,1H3,(H,23,27)(H,24,26)/t17-,20+/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 40961479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).