3-methyl-4-(methylsulfonimidoyl)aniline

C8H12N2OS — CID 130737728

IUPAC3-methyl-4-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)c1ccc(N)cc1C
InChIInChI=1S/C8H12N2OS/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,10H,9H2,1-2H3
InChIKeyFXSLWUYWOIPFLB-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-4-(methylsulfonimidoyl)aniline

3-methyl-4-(methylsulfonimidoyl)aniline (PubChem CID 130737728) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-methyl-4-(methylsulfonimidoyl)aniline.

Molecular Properties

Compound Name3-methyl-4-(methylsulfonimidoyl)aniline
PubChem CID130737728
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-methyl-4-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)c1ccc(N)cc1C
InChIInChI=1S/C8H12N2OS/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,10H,9H2,1-2H3
InChIKeyFXSLWUYWOIPFLB-UHFFFAOYSA-N
XLogP1.61
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(methylsulfonimidoyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylsulfonimidoyl)aniline?
The IUPAC name of 3-methyl-4-(methylsulfonimidoyl)aniline (CID 130737728) is 3-methyl-4-(methylsulfonimidoyl)aniline.
What is the SMILES notation for 3-methyl-4-(methylsulfonimidoyl)aniline?
The canonical SMILES for 3-methyl-4-(methylsulfonimidoyl)aniline is [H]N=S(C)(=O)c1ccc(N)cc1C.
What is the InChIKey of 3-methyl-4-(methylsulfonimidoyl)aniline?
The InChIKey is FXSLWUYWOIPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,10H,9H2,1-2H3.
What are the key properties of 3-methyl-4-(methylsulfonimidoyl)aniline?
3-methyl-4-(methylsulfonimidoyl)aniline has a molecular weight of 184.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylsulfonimidoyl)aniline is sourced from PubChem (CID 130737728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).