2,3-dimethylaniline;sulfur dioxide

C8H11NO2S — CID 154998449

IUPAC2,3-dimethylaniline;sulfur dioxide
SMILESCc1cccc(N)c1C.O=S=O
InChIInChI=1S/C8H11N.O2S/c1-6-4-3-5-8(9)7(6)2;1-3-2/h3-5H,9H2,1-2H3;
InChIKeyQTQXTKJQPUQPIA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.22
Rot. Bonds

About 2,3-dimethylaniline;sulfur dioxide

2,3-dimethylaniline;sulfur dioxide (PubChem CID 154998449) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2,3-dimethylaniline;sulfur dioxide.

Molecular Properties

Compound Name2,3-dimethylaniline;sulfur dioxide
PubChem CID154998449
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2,3-dimethylaniline;sulfur dioxide
SMILESCc1cccc(N)c1C.O=S=O
InChIInChI=1S/C8H11N.O2S/c1-6-4-3-5-8(9)7(6)2;1-3-2/h3-5H,9H2,1-2H3;
InChIKeyQTQXTKJQPUQPIA-UHFFFAOYSA-N
XLogP1.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethylaniline;sulfur dioxide 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 2,3-dimethylaniline;sulfur dioxide?
The IUPAC name of 2,3-dimethylaniline;sulfur dioxide (CID 154998449) is 2,3-dimethylaniline;sulfur dioxide.
What is the SMILES notation for 2,3-dimethylaniline;sulfur dioxide?
The canonical SMILES for 2,3-dimethylaniline;sulfur dioxide is Cc1cccc(N)c1C.O=S=O.
What is the InChIKey of 2,3-dimethylaniline;sulfur dioxide?
The InChIKey is QTQXTKJQPUQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.O2S/c1-6-4-3-5-8(9)7(6)2;1-3-2/h3-5H,9H2,1-2H3;.
What are the key properties of 2,3-dimethylaniline;sulfur dioxide?
2,3-dimethylaniline;sulfur dioxide has a molecular weight of 185.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylaniline;sulfur dioxide is sourced from PubChem (CID 154998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).