1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine

C13H20N2O2S — CID 775782

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-11-4-5-13(12(2)10-11)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyFINBYCRZTUVPHN-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.24
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine

1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 775782) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
PubChem CID775782
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-11-4-5-13(12(2)10-11)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyFINBYCRZTUVPHN-UHFFFAOYSA-N
XLogP1.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine (CID 775782) is 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is FINBYCRZTUVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-5-13(12(2)10-11)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).