5-oxodibenzothiophen-3-amine

C12H9NOS — CID 24973375

IUPAC5-oxodibenzothiophen-3-amine
SMILESNc1ccc2c(c1)S(=O)c1ccccc1-2
InChIInChI=1S/C12H9NOS/c13-8-5-6-10-9-3-1-2-4-11(9)15(14)12(10)7-8/h1-7H,13H2
InChIKeyAFHXHKHRBFHXRT-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.42
Rot. Bonds

About 5-oxodibenzothiophen-3-amine

5-oxodibenzothiophen-3-amine (PubChem CID 24973375) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-oxodibenzothiophen-3-amine.

Molecular Properties

Compound Name5-oxodibenzothiophen-3-amine
PubChem CID24973375
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name5-oxodibenzothiophen-3-amine
SMILESNc1ccc2c(c1)S(=O)c1ccccc1-2
InChIInChI=1S/C12H9NOS/c13-8-5-6-10-9-3-1-2-4-11(9)15(14)12(10)7-8/h1-7H,13H2
InChIKeyAFHXHKHRBFHXRT-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-oxodibenzothiophen-3-amine 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 5-oxodibenzothiophen-3-amine?
The IUPAC name of 5-oxodibenzothiophen-3-amine (CID 24973375) is 5-oxodibenzothiophen-3-amine.
What is the SMILES notation for 5-oxodibenzothiophen-3-amine?
The canonical SMILES for 5-oxodibenzothiophen-3-amine is Nc1ccc2c(c1)S(=O)c1ccccc1-2.
What is the InChIKey of 5-oxodibenzothiophen-3-amine?
The InChIKey is AFHXHKHRBFHXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c13-8-5-6-10-9-3-1-2-4-11(9)15(14)12(10)7-8/h1-7H,13H2.
What are the key properties of 5-oxodibenzothiophen-3-amine?
5-oxodibenzothiophen-3-amine has a molecular weight of 215.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxodibenzothiophen-3-amine is sourced from PubChem (CID 24973375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).