[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone

C17H23NO3S — CID 90589335

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO3S/c19-17(14-6-4-5-7-14)18-12-10-16(11-13-18)22(20,21)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2
InChIKeyLHMSYBLDNQAGLX-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.64
Rot. Bonds3

About [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone

[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 90589335) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID90589335
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO3S/c19-17(14-6-4-5-7-14)18-12-10-16(11-13-18)22(20,21)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2
InChIKeyLHMSYBLDNQAGLX-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
[3-(benzenesulfonyl)pyrrolidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
CID 154870125
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 90584874
1-[4-(benzenesulfonyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90589120
2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55898501
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone (CID 90589335) is [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is LHMSYBLDNQAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c19-17(14-6-4-5-7-14)18-12-10-16(11-13-18)22(20,21)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone?
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 321.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 90589335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).