N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide

C12H22N2O3S — CID 774895

IUPACN-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-10(7-9-14)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyZSFULZINXRAXAO-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds3

About N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774895) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774895
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-10(7-9-14)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyZSFULZINXRAXAO-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-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide (CID 774895) is N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZSFULZINXRAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)14-8-6-10(7-9-14)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-1-methylsulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-methylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 774895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).