1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide

C15H28N2O3S — CID 3238187

IUPAC1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-4-5-13(11-17)15(18)16-14-8-6-12(2)7-9-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyXQFMNPBROWVLKC-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.74
Rot. Bonds4

About 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide

1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 3238187) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID3238187
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-4-5-13(11-17)15(18)16-14-8-6-12(2)7-9-14/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyXQFMNPBROWVLKC-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 24606231
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
N-(1-cyclopropylcyclopropyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126810680
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
1-[(1-ethylsulfonylpiperidine-3-carbonyl)amino]-3-propan-2-ylthiourea
CID 17126894
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide (CID 3238187) is 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NC2CCC(C)CC2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is XQFMNPBROWVLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-4-5-13(11-17)15(18)16-14-8-6-12(2)7-9-14/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 3238187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).