(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

C22H28N2O4S — CID 11502569

IUPAC(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H28N2O4S/c25-20-10-8-19(9-11-20)23-22(26)18-6-3-13-24(15-18)29(27,28)21-12-7-16-4-1-2-5-17(16)14-21/h1-2,4-5,7,12,14,18-20,25H,3,6,8-11,13,15H2,(H,23,26)/t18-,19?,20?/m0/s1
InChIKeyKPBAFRGVVCPUBQ-HDYDNRTBSA-N
MW416.54 g/mol
LogP2.66
Rot. Bonds4

About (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide

(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 11502569) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID11502569
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H28N2O4S/c25-20-10-8-19(9-11-20)23-22(26)18-6-3-13-24(15-18)29(27,28)21-12-7-16-4-1-2-5-17(16)14-21/h1-2,4-5,7,12,14,18-20,25H,3,6,8-11,13,15H2,(H,23,26)/t18-,19?,20?/m0/s1
InChIKeyKPBAFRGVVCPUBQ-HDYDNRTBSA-N
XLogP2.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 72992124
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide (CID 11502569) is (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KPBAFRGVVCPUBQ-HDYDNRTBSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-20-10-8-19(9-11-20)23-22(26)18-6-3-13-24(15-18)29(27,28)21-12-7-16-4-1-2-5-17(16)14-21/h1-2,4-5,7,12,14,18-20,25H,3,6,8-11,13,15H2,(H,23,26)/t18-,19?,20?/m0/s1.
What are the key properties of (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 11502569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).