(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide

C12H22N2O3S — CID 6938499

IUPAC(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](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)/t10-/m0/s1
InChIKeyXWNXZHPXYWTKIW-JTQLQIEISA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds3

About (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 6938499) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID6938499
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](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)/t10-/m0/s1
InChIKeyXWNXZHPXYWTKIW-JTQLQIEISA-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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Related Compounds

N-(4-hydroxycyclohexyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43417208
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124746891
N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 3497697
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
N-cyclopentyloxy-1-methylsulfonylpiperidine-3-carboxamide
CID 83206976
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
(2S)-2-cyano-N-cyclopentyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-oxopropanamide
CID 98765344

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide (CID 6938499) is (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is XWNXZHPXYWTKIW-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-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 (3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6938499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).