4-cyclopentylsulfonyl-3-ethylpiperazin-2-one

C11H20N2O3S — CID 115617335

IUPAC4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-2-10-11(14)12-7-8-13(10)17(15,16)9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyPYDOVBNPPXZAGL-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.47
Rot. Bonds3

About 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one

4-cyclopentylsulfonyl-3-ethylpiperazin-2-one (PubChem CID 115617335) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
PubChem CID115617335
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H20N2O3S/c1-2-10-11(14)12-7-8-13(10)17(15,16)9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyPYDOVBNPPXZAGL-UHFFFAOYSA-N
XLogP0.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one?
The IUPAC name of 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one (CID 115617335) is 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one?
The canonical SMILES for 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one?
The InChIKey is PYDOVBNPPXZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-2-10-11(14)12-7-8-13(10)17(15,16)9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one?
4-cyclopentylsulfonyl-3-ethylpiperazin-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-3-ethylpiperazin-2-one is sourced from PubChem (CID 115617335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).