3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one

C14H26N2O3S — CID 719638

IUPAC3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-2-20(18,19)16-11-9-15(10-12-16)14(17)8-7-13-5-3-4-6-13/h13H,2-12H2,1H3
InChIKeyMBZCKEHINJWPNO-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.45
Rot. Bonds5

About 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one

3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 719638) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID719638
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H26N2O3S/c1-2-20(18,19)16-11-9-15(10-12-16)14(17)8-7-13-5-3-4-6-13/h13H,2-12H2,1H3
InChIKeyMBZCKEHINJWPNO-UHFFFAOYSA-N
XLogP1.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Cyclopentylpropanoyl)-4-(propylsulfonyl)piperazine
CID 719651
3-Cyclopentyl-1-[4-(methylsulfonyl)piperazin-1-yl]propan-1-one
CID 806859
[1-(4-Cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
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8-Ethylsulfonyl-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 118738726
1-Cyclopentanecarbonylpiperidine-3-sulfonyl chloride
CID 75480497
1-Cyclopentanecarbonyl-4-(ethanesulfonyl)-1,4-diazepane
CID 53016388
cyclopentyl-[(3S)-3-pyrrolidin-1-ylsulfonylpiperidin-1-yl]methanone
CID 97348224
2-[4-(2-Cyclohexylcyclopropanecarbonyl)piperazin-1-yl]ethanesulfonamide
CID 121528942
N-[1-(2-Cyclohexylacetyl)-3-azetanyl]-N-(2-piperidinoethyl)-1-ethanesulfonamide
CID 137959908
(4-Ethylsulfonylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 49599077
(4-Ethylsulfonylpiperazin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 49601006
Cyclohexyl-[4-(3-fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]methanone
CID 146149426

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one (CID 719638) is 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one is CCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is MBZCKEHINJWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-20(18,19)16-11-9-15(10-12-16)14(17)8-7-13-5-3-4-6-13/h13H,2-12H2,1H3.
What are the key properties of 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 302.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 719638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).