N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide

C13H24N2O3S — CID 892626

IUPACN-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-9-7-11(8-10-15)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeySPNMGYJDXWEWDC-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.11
Rot. Bonds3

About N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide

N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 892626) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID892626
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-9-7-11(8-10-15)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeySPNMGYJDXWEWDC-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide (CID 892626) is N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SPNMGYJDXWEWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)15-9-7-11(8-10-15)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide?
N-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide 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-cyclohexyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).