N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C14H26N2O4S — CID 56923228

IUPACN-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CCCCC1O
InChIInChI=1S/C14H26N2O4S/c1-15(12-5-3-4-6-13(12)17)14(18)11-7-9-16(10-8-11)21(2,19)20/h11-13,17H,3-10H2,1-2H3
InChIKeyCNCQXJBFYDSQGM-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.42
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 56923228) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID56923228
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CCCCC1O
InChIInChI=1S/C14H26N2O4S/c1-15(12-5-3-4-6-13(12)17)14(18)11-7-9-16(10-8-11)21(2,19)20/h11-13,17H,3-10H2,1-2H3
InChIKeyCNCQXJBFYDSQGM-UHFFFAOYSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649266
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
N-cyclopentyl-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 47184100
N-(2-hydroxycyclohexyl)-N-methyladamantane-2-carboxamide
CID 102635247
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102631714
1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
CID 95875536
3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102631700
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871
1-[(2-hydroxycyclohexyl)-methylsulfamoyl]piperidine-3-carboxylic acid
CID 102631724
(2R)-N-(2-hydroxycyclohexyl)-N-methylpiperidine-2-carboxamide
CID 102631898
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 56923228) is N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is CNCQXJBFYDSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(12-5-3-4-6-13(12)17)14(18)11-7-9-16(10-8-11)21(2,19)20/h11-13,17H,3-10H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56923228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).