N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide

C19H28N2O4S — CID 73023864

IUPACN-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)26(24,25)21-12-4-6-15(13-21)19(23)20-16-8-10-17(22)11-9-16/h2-3,5,7,15-17,22H,4,6,8-13H2,1H3,(H,20,23)
InChIKeyIZXXQKODJXVXGK-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.82
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 73023864) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID73023864
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)26(24,25)21-12-4-6-15(13-21)19(23)20-16-8-10-17(22)11-9-16/h2-3,5,7,15-17,22H,4,6,8-13H2,1H3,(H,20,23)
InChIKeyIZXXQKODJXVXGK-UHFFFAOYSA-N
XLogP1.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79476883
N-(4-hydroxycyclohexyl)-1-[3-(2-methylphenoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 72992124
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
(3S)-1-(2-cyclohexa-1,3-dien-1-yloxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 143174103
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
ethyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 81307471
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 73023864) is N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccccc1S(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is IZXXQKODJXVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-5-2-3-7-18(14)26(24,25)21-12-4-6-15(13-21)19(23)20-16-8-10-17(22)11-9-16/h2-3,5,7,15-17,22H,4,6,8-13H2,1H3,(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 73023864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).