N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide

C12H22N2O3S — CID 4572235

IUPACN-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-4-5-10(9-14)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyXWNXZHPXYWTKIW-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds3

About N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide

N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 4572235) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID4572235
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-4-5-10(9-14)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyXWNXZHPXYWTKIW-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide (CID 4572235) is N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XWNXZHPXYWTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14-8-4-5-10(9-14)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4572235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).