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

C15H28N2O3S — CID 719651

IUPAC3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-2-13-21(19,20)17-11-9-16(10-12-17)15(18)8-7-14-5-3-4-6-14/h14H,2-13H2,1H3
InChIKeyKPPSIBYYWWXLIU-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.84
Rot. Bonds6

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

3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 719651) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID719651
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3S/c1-2-13-21(19,20)17-11-9-16(10-12-17)15(18)8-7-14-5-3-4-6-14/h14H,2-13H2,1H3
InChIKeyKPPSIBYYWWXLIU-UHFFFAOYSA-N
XLogP1.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one (CID 719651) is 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is CCCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is KPPSIBYYWWXLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-2-13-21(19,20)17-11-9-16(10-12-17)15(18)8-7-14-5-3-4-6-14/h14H,2-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one?
3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 316.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 719651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).