4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine

C12H19N3O2S — CID 82305650

IUPAC4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(N)CC2)cc1C
InChIInChI=1S/C12H19N3O2S/c1-10-3-4-12(9-11(10)2)18(16,17)15-7-5-14(13)6-8-15/h3-4,9H,5-8,13H2,1-2H3
InChIKeyVZUDDACTEBPPFE-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.48
Rot. Bonds2

About 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine

4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine (PubChem CID 82305650) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
PubChem CID82305650
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
SMILESCc1ccc(S(=O)(=O)N2CCN(N)CC2)cc1C
InChIInChI=1S/C12H19N3O2S/c1-10-3-4-12(9-11(10)2)18(16,17)15-7-5-14(13)6-8-15/h3-4,9H,5-8,13H2,1-2H3
InChIKeyVZUDDACTEBPPFE-UHFFFAOYSA-N
XLogP0.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine 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

1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847354
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine (CID 82305650) is 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine is Cc1ccc(S(=O)(=O)N2CCN(N)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine?
The InChIKey is VZUDDACTEBPPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-3-4-12(9-11(10)2)18(16,17)15-7-5-14(13)6-8-15/h3-4,9H,5-8,13H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine?
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine has a molecular weight of 269.37 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine is sourced from PubChem (CID 82305650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).