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

C18H25NO3S — CID 90589378

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3S/c20-18(15-7-3-1-4-8-15)19-13-11-17(12-14-19)23(21,22)16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyOUXFXIJIXDROJM-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.03
Rot. Bonds3

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

[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone (PubChem CID 90589378) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
PubChem CID90589378
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3S/c20-18(15-7-3-1-4-8-15)19-13-11-17(12-14-19)23(21,22)16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2
InChIKeyOUXFXIJIXDROJM-UHFFFAOYSA-N
XLogP3.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
[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-(4-aminophenyl)sulfonylpyrrolidin-1-yl]-cyclohexylmethanone;formic acid;1,1,1,2,3,3,3-heptafluoropropan-2-ylbenzene
CID 144882316
[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

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone (CID 90589378) is [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is OUXFXIJIXDROJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c20-18(15-7-3-1-4-8-15)19-13-11-17(12-14-19)23(21,22)16-9-5-2-6-10-16/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone?
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 335.47 g/mol, XLogP of 3.03, 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]-cyclohexylmethanone is sourced from PubChem (CID 90589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).