1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide

C15H28N2O3S — CID 40516825

IUPAC1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-8-13(9-11-17)15(18)16-14-7-5-4-6-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyPWWYAESYBFUPEP-OCCSQVGLSA-N
MW316.47 g/mol
LogP1.74
Rot. Bonds4

About 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 40516825) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID40516825
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-8-13(9-11-17)15(18)16-14-7-5-4-6-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1
InChIKeyPWWYAESYBFUPEP-OCCSQVGLSA-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-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94808986
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
2-[[[(1-ethylsulfonylpiperidin-4-yl)amino]-[(2-methylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039052
1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3294768
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
N-[(1S,2R)-2-methylcyclohexyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25497341

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 40516825) is 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is PWWYAESYBFUPEP-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-8-13(9-11-17)15(18)16-14-7-5-4-6-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,14+/m1/s1.
What are the key properties of 1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-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-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 40516825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).