1-(2,5-dimethylphenyl)sulfonylpiperazine

C12H18N2O2S — CID 2384617

IUPAC1-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyUNCDXZPJNCWORR-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.90
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfonylpiperazine

1-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 2384617) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID2384617
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C12H18N2O2S/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyUNCDXZPJNCWORR-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonylpiperazine (CID 2384617) is 1-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonylpiperazine is Cc1ccc(C)c(S(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is UNCDXZPJNCWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-3-4-11(2)12(9-10)17(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonylpiperazine?
1-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2384617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).