1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

C15H28N2O3S — CID 3238864

IUPAC1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyXDMUZLHOYRSZMK-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.74
Rot. Bonds4

About 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide

1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 3238864) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID3238864
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyXDMUZLHOYRSZMK-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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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide (CID 3238864) is 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is XDMUZLHOYRSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-3-21(19,20)17-10-6-8-13(11-17)15(18)16-14-9-5-4-7-12(14)2/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide?
1-ethylsulfonyl-N-(2-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-(2-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 3238864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).