N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H24N2O4S — CID 43417208

IUPACN-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-8-2-3-10(9-15)13(17)14-11-4-6-12(16)7-5-11/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyVCEMBYINNJPOGS-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.08
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 43417208) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID43417208
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-8-2-3-10(9-15)13(17)14-11-4-6-12(16)7-5-11/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyVCEMBYINNJPOGS-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124746891
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 3238187
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 43417208) is N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NC2CCC(O)CC2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is VCEMBYINNJPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(18,19)15-8-2-3-10(9-15)13(17)14-11-4-6-12(16)7-5-11/h10-12,16H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43417208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).