[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide

C15H28N2O3S — CID 71994818

IUPAC[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(C(=O)CCCC2CCCC2)C1
InChIInChI=1S/C15H28N2O3S/c16-21(19,20)12-14-8-4-10-17(11-14)15(18)9-3-7-13-5-1-2-6-13/h13-14H,1-12H2,(H2,16,19,20)
InChIKeyUHKWNLJSIBWAJJ-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.87
Rot. Bonds6

About [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide

[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 71994818) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
PubChem CID71994818
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN(C(=O)CCCC2CCCC2)C1
InChIInChI=1S/C15H28N2O3S/c16-21(19,20)12-14-8-4-10-17(11-14)15(18)9-3-7-13-5-1-2-6-13/h13-14H,1-12H2,(H2,16,19,20)
InChIKeyUHKWNLJSIBWAJJ-UHFFFAOYSA-N
XLogP1.87
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
CID 96560950
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
(1-iodopiperidin-3-yl)methanesulfonamide
CID 178012534

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide (CID 71994818) is [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN(C(=O)CCCC2CCCC2)C1.
What is the InChIKey of [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UHKWNLJSIBWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c16-21(19,20)12-14-8-4-10-17(11-14)15(18)9-3-7-13-5-1-2-6-13/h13-14H,1-12H2,(H2,16,19,20).
What are the key properties of [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide?
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 71994818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).