1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine

C13H20N2O2S — CID 794419

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2O2S/c1-11-4-5-13(10-12(11)2)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyVFGNSHWYRVEBBV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.24
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 794419) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine
PubChem CID794419
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2O2S/c1-11-4-5-13(10-12(11)2)18(16,17)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyVFGNSHWYRVEBBV-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

Analyze 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(Naphthalene-2-sulfonyl)-piperazine
CID 703957
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[(4-methylphenyl)sulfonyl]-1,4-diazaperhydroepine
CID 2354155
1-[(2,3-Dihydro-1H-inden-5-yl)sulfonyl]piperazine
CID 2443018
3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propanenitrile
CID 9257996
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
1-Methyl-4-(naphthalene-2-sulfonyl)piperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine (CID 794419) is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is VFGNSHWYRVEBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-5-13(10-12(11)2)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-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine?
1-(3,4-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-(3,4-dimethylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 794419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).