1-benzyl-4-benzylsulfonylpiperazine

C18H22N2O2S — CID 669283

IUPAC1-benzyl-4-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDYCHURWTNOAGFJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.33
Rot. Bonds5

About 1-benzyl-4-benzylsulfonylpiperazine

1-benzyl-4-benzylsulfonylpiperazine (PubChem CID 669283) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-benzyl-4-benzylsulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-benzylsulfonylpiperazine
PubChem CID669283
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-benzyl-4-benzylsulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyDYCHURWTNOAGFJ-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-benzylsulfonylpiperazine?
The IUPAC name of 1-benzyl-4-benzylsulfonylpiperazine (CID 669283) is 1-benzyl-4-benzylsulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-benzylsulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-benzylsulfonylpiperazine is O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-benzylsulfonylpiperazine?
The InChIKey is DYCHURWTNOAGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-benzyl-4-benzylsulfonylpiperazine?
1-benzyl-4-benzylsulfonylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-benzylsulfonylpiperazine is sourced from PubChem (CID 669283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).