4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one

C12H22N2O3S — CID 127853242

IUPAC4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(S(=O)(=O)CC2CCCC2)CC1=O
InChIInChI=1S/C12H22N2O3S/c1-2-13-7-8-14(9-12(13)15)18(16,17)10-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyXOYGLMHQLVHVLP-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.67
Rot. Bonds4

About 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one

4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one (PubChem CID 127853242) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one
PubChem CID127853242
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one
SMILESCCN1CCN(S(=O)(=O)CC2CCCC2)CC1=O
InChIInChI=1S/C12H22N2O3S/c1-2-13-7-8-14(9-12(13)15)18(16,17)10-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyXOYGLMHQLVHVLP-UHFFFAOYSA-N
XLogP0.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 71996832
2-[cyclohexylmethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 75419186
1-Methyl-4-[(1-methylcyclobutyl)methylsulfonyl]piperazin-2-one
CID 137956891
1-[4-(Cyclohexylmethylsulfonyl)piperazin-1-yl]ethanone
CID 89779791
1-[4-(3-Methylhexan-3-ylsulfonyl)piperazin-1-yl]ethanone
CID 132123306
N,N-dimethyl-2-[[2-(4-methylpiperidin-1-yl)sulfonylacetyl]-propylamino]acetamide
CID 53551554
2-(1,1-Dioxo-1,2-thiazolidin-2-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 60459966
Cyclopentyl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 71684145
Cyclopentyl-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 71689716
N-[2-(3,5-Dimethylpiperidin-1-YL)-2-oxoethyl]-N-methylpropane-2-sulfonamide
CID 71864595
1-(Cyclopentylmethyl)-4-(3-methylsulfonylpropyl)piperazin-2-one
CID 75432099
2-(Dimethylamino)-1-(4-pentan-2-ylsulfonylpiperazin-1-yl)ethanone
CID 91653205

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one?
The IUPAC name of 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one (CID 127853242) is 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one?
The canonical SMILES for 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one is CCN1CCN(S(=O)(=O)CC2CCCC2)CC1=O.
What is the InChIKey of 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one?
The InChIKey is XOYGLMHQLVHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-13-7-8-14(9-12(13)15)18(16,17)10-11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one?
4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one has a molecular weight of 274.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfonyl)-1-ethylpiperazin-2-one is sourced from PubChem (CID 127853242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).