1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine

C19H24N2O2S — CID 110657924

IUPAC1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O2S/c1-16-8-6-7-11-19(16)24(22,23)21-13-12-20(17(2)14-21)15-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyYYPACBJJTHWBOK-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.89
Rot. Bonds4

About 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine

1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 110657924) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID110657924
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine
SMILESCc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O2S/c1-16-8-6-7-11-19(16)24(22,23)21-13-12-20(17(2)14-21)15-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3
InChIKeyYYPACBJJTHWBOK-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-methylpiperazine
CID 110657887
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
1-[5-(4-benzyl-3-methylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110657914
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
1-[6-(4-benzyl-3-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 110657916
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine (CID 110657924) is 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine is Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is YYPACBJJTHWBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-8-6-7-11-19(16)24(22,23)21-13-12-20(17(2)14-21)15-18-9-4-3-5-10-18/h3-11,17H,12-15H2,1-2H3.
What are the key properties of 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine?
1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110657924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).