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

C13H24N2O3S — CID 806859

IUPAC3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-10-8-14(9-11-15)13(16)7-6-12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyXTOTUNFQTPKIFE-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds4

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

3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 806859) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID806859
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-19(17,18)15-10-8-14(9-11-15)13(16)7-6-12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyXTOTUNFQTPKIFE-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Cyclopentylpropanoyl)-4-(3-methylbutanoyl)piperazine
CID 776717
1-(3-Cyclopentylpropanoyl)-4-(propylsulfonyl)piperazine
CID 719651
3-Cyclopentyl-1-(4-ethylsulfonylpiperazin-1-yl)propan-1-one
CID 719638
[1-(4-Cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
N-[1-(2-Cyclopentylacetyl)-3-azetanyl]-N-(2-piperidinoethyl)methanesulfonamide
CID 137962100
2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide
CID 164642734
3-Cyclopentyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 897204
N-[1-(cyclopentanecarbonyl)piperidin-3-yl]methanesulfonamide
CID 45816907
1-Cyclopentanecarbonyl-4-methanesulfonyl-1,4-diazepane
CID 47024302
2-cyclopentyl-N-((1-(methylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 49688190
3-Cyclohexyl-1-[4-(methylsulfonyl)piperazinyl]propan-1-one
CID 17249115
5,5-Dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
CID 130266325

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (CID 806859) is 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is CS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is XTOTUNFQTPKIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-19(17,18)15-10-8-14(9-11-15)13(16)7-6-12-4-2-3-5-12/h12H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 288.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 806859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).