3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one

C15H22N2O3S — CID 80691437

IUPAC3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-3-14-15(18)16-9-10-17(14)21(19,20)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyNCKOAWUPJAOAAR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.33
Rot. Bonds5

About 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one

3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one (PubChem CID 80691437) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one
PubChem CID80691437
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-3-14-15(18)16-9-10-17(14)21(19,20)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18)
InChIKeyNCKOAWUPJAOAAR-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-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 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one (CID 80691437) is 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one is CCC1C(=O)NCCN1S(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one?
The InChIKey is NCKOAWUPJAOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-14-15(18)16-9-10-17(14)21(19,20)11-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one?
3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-phenylpropylsulfonyl)piperazin-2-one is sourced from PubChem (CID 80691437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).