1-(4-propylphenyl)sulfonylpiperazine

C13H20N2O2S — CID 2492743

IUPAC1-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14-9-11-15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyUJGNXLDOTDJYGH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.23
Rot. Bonds4

About 1-(4-propylphenyl)sulfonylpiperazine

1-(4-propylphenyl)sulfonylpiperazine (PubChem CID 2492743) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-propylphenyl)sulfonylpiperazine
PubChem CID2492743
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14-9-11-15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyUJGNXLDOTDJYGH-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-propylphenyl)sulfonylpiperazine 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 1-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-propylphenyl)sulfonylpiperazine (CID 2492743) is 1-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is UJGNXLDOTDJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-3-12-4-6-13(7-5-12)18(16,17)15-10-8-14-9-11-15/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-propylphenyl)sulfonylpiperazine?
1-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2492743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).