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

C18H25NO3S — CID 110661946

IUPAC[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3S/c20-18(16-6-4-5-7-16)19-12-10-15(11-13-19)14-23(21,22)17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2
InChIKeyJQBQPCWQQDQNDF-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.89
Rot. Bonds4

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

[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone (PubChem CID 110661946) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
PubChem CID110661946
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCC(CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3S/c20-18(16-6-4-5-7-16)19-12-10-15(11-13-19)14-23(21,22)17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2
InChIKeyJQBQPCWQQDQNDF-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110661953
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
3-(benzenesulfonyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 17449768
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672481
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone (CID 110661946) is [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCC(CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone?
The InChIKey is JQBQPCWQQDQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c20-18(16-6-4-5-7-16)19-12-10-15(11-13-19)14-23(21,22)17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2.
What are the key properties of [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone?
[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone has a molecular weight of 335.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110661946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).