2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine

C19H24N2O2S — CID 110658075

IUPAC2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
SMILESCc1ccccc1CS(=O)(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O2S/c1-16-8-6-7-9-18(16)15-24(22,23)20-12-13-21(17(2)14-20)19-10-4-3-5-11-19/h3-11,17H,12-15H2,1-2H3
InChIKeyKYFIXYKEXXOKOI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.04
Rot. Bonds4

About 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine

2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine (PubChem CID 110658075) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
PubChem CID110658075
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine
SMILESCc1ccccc1CS(=O)(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O2S/c1-16-8-6-7-9-18(16)15-24(22,23)20-12-13-21(17(2)14-20)19-10-4-3-5-11-19/h3-11,17H,12-15H2,1-2H3
InChIKeyKYFIXYKEXXOKOI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzyl-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110393933
tert-butyl 2-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-carboxylate
CID 71634951
tert-butyl (2S)-2-methyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-carboxylate
CID 97177083
2-[2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 110290431
N,N,3-trimethyl-4-phenylpiperazine-1-sulfonamide
CID 110707722
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-(3-methoxypropyl)-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110413068
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine?
The IUPAC name of 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine (CID 110658075) is 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine.
What is the SMILES notation for 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine?
The canonical SMILES for 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine is Cc1ccccc1CS(=O)(=O)N1CCN(c2ccccc2)C(C)C1.
What is the InChIKey of 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine?
The InChIKey is KYFIXYKEXXOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-8-6-7-9-18(16)15-24(22,23)20-12-13-21(17(2)14-20)19-10-4-3-5-11-19/h3-11,17H,12-15H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine?
2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylphenyl)methylsulfonyl]-1-phenylpiperazine is sourced from PubChem (CID 110658075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).