1-(4-methylsulfonylphenyl)piperazine

C11H16N2O2S — CID 735904

IUPAC1-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyKNQFDOLIXOOIGX-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.50
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)piperazine

1-(4-methylsulfonylphenyl)piperazine (PubChem CID 735904) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)piperazine
PubChem CID735904
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-methylsulfonylphenyl)piperazine
SMILESCS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKeyKNQFDOLIXOOIGX-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)piperazine?
The IUPAC name of 1-(4-methylsulfonylphenyl)piperazine (CID 735904) is 1-(4-methylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)piperazine is CS(=O)(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)piperazine?
The InChIKey is KNQFDOLIXOOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)piperazine?
1-(4-methylsulfonylphenyl)piperazine has a molecular weight of 240.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)piperazine is sourced from PubChem (CID 735904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).