1-(4-propan-2-ylphenyl)sulfonylpiperazine

C13H20N2O2S — CID 2398130

IUPAC1-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyUIJPDEFOQMIKFK-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.40
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonylpiperazine

1-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 2398130) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID2398130
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyUIJPDEFOQMIKFK-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 2398130) is 1-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is UIJPDEFOQMIKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylpiperazine?
1-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2398130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).