(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide

C15H28N2O3S — CID 95294312

IUPAC(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC1CCC(N(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-12-7-9-13(10-8-12)16(2)15(18)14-6-4-5-11-17(14)21(3,19)20/h12-14H,4-11H2,1-3H3/t12?,13?,14-/m0/s1
InChIKeyJCSPEQKSHYQHIU-RUXDESIVSA-N
MW316.47 g/mol
LogP1.84
Rot. Bonds3

About (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide

(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 95294312) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID95294312
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCC1CCC(N(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O3S/c1-12-7-9-13(10-8-12)16(2)15(18)14-6-4-5-11-17(14)21(3,19)20/h12-14H,4-11H2,1-3H3/t12?,13?,14-/m0/s1
InChIKeyJCSPEQKSHYQHIU-RUXDESIVSA-N
XLogP1.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide (CID 95294312) is (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide is CC1CCC(N(C)C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1.
What is the InChIKey of (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is JCSPEQKSHYQHIU-RUXDESIVSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12-7-9-13(10-8-12)16(2)15(18)14-6-4-5-11-17(14)21(3,19)20/h12-14H,4-11H2,1-3H3/t12?,13?,14-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(4-methylcyclohexyl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 95294312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).