1-benzylsulfonylpiperazine

C11H16N2O2S — CID 2512733

IUPAC1-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,13-8-6-12-7-9-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyFXLVCHSCGBTGPL-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.42
Rot. Bonds3

About 1-benzylsulfonylpiperazine

1-benzylsulfonylpiperazine (PubChem CID 2512733) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-benzylsulfonylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonylpiperazine
PubChem CID2512733
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,13-8-6-12-7-9-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyFXLVCHSCGBTGPL-UHFFFAOYSA-N
XLogP0.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonylpiperazine?
The IUPAC name of 1-benzylsulfonylpiperazine (CID 2512733) is 1-benzylsulfonylpiperazine.
What is the SMILES notation for 1-benzylsulfonylpiperazine?
The canonical SMILES for 1-benzylsulfonylpiperazine is O=S(=O)(Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 1-benzylsulfonylpiperazine?
The InChIKey is FXLVCHSCGBTGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-16(15,13-8-6-12-7-9-13)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1-benzylsulfonylpiperazine?
1-benzylsulfonylpiperazine has a molecular weight of 240.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonylpiperazine is sourced from PubChem (CID 2512733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).