1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide

C12H22N2O3S — CID 90924048

IUPAC1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)CC2CCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c13-12(15)11-5-7-14(8-6-11)18(16,17)9-10-3-1-2-4-10/h10-11H,1-9H2,(H2,13,15)
InChIKeyUKXIAKBNGMOJDO-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.70
Rot. Bonds4

About 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide

1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide (PubChem CID 90924048) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
PubChem CID90924048
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(S(=O)(=O)CC2CCCC2)CC1
InChIInChI=1S/C12H22N2O3S/c13-12(15)11-5-7-14(8-6-11)18(16,17)9-10-3-1-2-4-10/h10-11H,1-9H2,(H2,13,15)
InChIKeyUKXIAKBNGMOJDO-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595
[1-(cyclopentylmethylsulfonyl)azepan-4-yl]methanol
CID 128512728
1-propylsulfonylpiperidine-4-carboxamide
CID 6473107
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
1-(cyclohexylmethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041332
1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
CID 131916970
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxamide
CID 166222586
1-[4-(cyclobutylmethylsulfonyl)-1,4-diazepan-1-yl]ethanone
CID 71907886
1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28566601

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide (CID 90924048) is 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide is NC(=O)C1CCN(S(=O)(=O)CC2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide?
The InChIKey is UKXIAKBNGMOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c13-12(15)11-5-7-14(8-6-11)18(16,17)9-10-3-1-2-4-10/h10-11H,1-9H2,(H2,13,15).
What are the key properties of 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide?
1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 90924048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).