1-methyl-4-(3-methylphenyl)sulfonylpiperazine

C12H18N2O2S — CID 852199

IUPAC1-methyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C12H18N2O2S/c1-11-4-3-5-12(10-11)17(15,16)14-8-6-13(2)7-9-14/h3-5,10H,6-9H2,1-2H3
InChIKeyJZLSGOTZKRYLLY-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.93
Rot. Bonds2

About 1-methyl-4-(3-methylphenyl)sulfonylpiperazine

1-methyl-4-(3-methylphenyl)sulfonylpiperazine (PubChem CID 852199) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-methyl-4-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-(3-methylphenyl)sulfonylpiperazine
PubChem CID852199
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-methyl-4-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C12H18N2O2S/c1-11-4-3-5-12(10-11)17(15,16)14-8-6-13(2)7-9-14/h3-5,10H,6-9H2,1-2H3
InChIKeyJZLSGOTZKRYLLY-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-methyl-4-(3-methylphenyl)sulfonylpiperazine (CID 852199) is 1-methyl-4-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is JZLSGOTZKRYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-11-4-3-5-12(10-11)17(15,16)14-8-6-13(2)7-9-14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylphenyl)sulfonylpiperazine?
1-methyl-4-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 852199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).