4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine

C19H24N2O2S — CID 110602284

IUPAC4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-16-13-20(24(22,23)15-18-9-5-3-6-10-18)14-17(2)21(16)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3
InChIKeySJHCJUGHQSGUMQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.12
Rot. Bonds4

About 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine

4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine (PubChem CID 110602284) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine.

Molecular Properties

Compound Name4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
PubChem CID110602284
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-16-13-20(24(22,23)15-18-9-5-3-6-10-18)14-17(2)21(16)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3
InChIKeySJHCJUGHQSGUMQ-UHFFFAOYSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The IUPAC name of 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine (CID 110602284) is 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine.
What is the SMILES notation for 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The canonical SMILES for 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine is CC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1c1ccccc1.
What is the InChIKey of 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
The InChIKey is SJHCJUGHQSGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-13-20(24(22,23)15-18-9-5-3-6-10-18)14-17(2)21(16)19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3.
What are the key properties of 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine?
4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine is sourced from PubChem (CID 110602284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).