N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide

C13H24N2O3S — CID 51302071

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3
InChIKeyZOJIXMVMYGJJFZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.11
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 51302071) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID51302071
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3
InChIKeyZOJIXMVMYGJJFZ-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
1-(cyclopentanecarbonyl)-4-(dimethylsulfamoylamino)piperidine
CID 110820008
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 129468739
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377338
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
N-cycloheptylmethanesulfonamide
CID 3113423
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide (CID 51302071) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ZOJIXMVMYGJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 288.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 51302071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).