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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Related Compounds

4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110616587
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzyl-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110393933
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-1-(2-phenylethyl)piperazine
CID 110658254
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
1-benzylsulfonyl-2-methyl-4-phenylpyrrolidine
CID 110868673

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).