1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one

C16H14N2OS — CID 17370043

IUPAC1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one
SMILESCSc1ccccc1/N=C1\C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H14N2OS/c1-18-13-9-5-3-7-11(13)15(16(18)19)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3/b17-15-
InChIKeyWRVXUSQPBJZHCL-ICFOKQHNSA-N
MW282.37 g/mol
LogP3.51
Rot. Bonds2

About 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one

1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one (PubChem CID 17370043) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one
PubChem CID17370043
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one
SMILESCSc1ccccc1/N=C1\C(=O)N(C)c2ccccc21
InChIInChI=1S/C16H14N2OS/c1-18-13-9-5-3-7-11(13)15(16(18)19)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3/b17-15-
InChIKeyWRVXUSQPBJZHCL-ICFOKQHNSA-N
XLogP3.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one 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 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one?
The IUPAC name of 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one (CID 17370043) is 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one.
What is the SMILES notation for 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one?
The canonical SMILES for 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one is CSc1ccccc1/N=C1\C(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one?
The InChIKey is WRVXUSQPBJZHCL-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-18-13-9-5-3-7-11(13)15(16(18)19)17-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3/b17-15-.
What are the key properties of 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one?
1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one has a molecular weight of 282.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfanylphenyl)iminoindol-2-one is sourced from PubChem (CID 17370043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).