3-oxo-2-(sulfinatoamino)-1,2-dihydroindene

C9H8NO3S- — CID 18764768

IUPAC3-oxo-2-(sulfinatoamino)-1,2-dihydroindene
SMILESO=C1c2ccccc2CC1NS(=O)[O-]
InChIInChI=1S/C9H9NO3S/c11-9-7-4-2-1-3-6(7)5-8(9)10-14(12)13/h1-4,8,10H,5H2,(H,12,13)/p-1
InChIKeyFMZQBDJUGJMZJG-UHFFFAOYSA-M
MW210.23 g/mol
LogP0.18
Rot. Bonds2

About 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene

3-oxo-2-(sulfinatoamino)-1,2-dihydroindene (PubChem CID 18764768) has the molecular formula C9H8NO3S- and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene.

Molecular Properties

Compound Name3-oxo-2-(sulfinatoamino)-1,2-dihydroindene
PubChem CID18764768
Molecular FormulaC9H8NO3S-
Molecular Weight210.23 g/mol
Exact Mass210.02
IUPAC Name3-oxo-2-(sulfinatoamino)-1,2-dihydroindene
SMILESO=C1c2ccccc2CC1NS(=O)[O-]
InChIInChI=1S/C9H9NO3S/c11-9-7-4-2-1-3-6(7)5-8(9)10-14(12)13/h1-4,8,10H,5H2,(H,12,13)/p-1
InChIKeyFMZQBDJUGJMZJG-UHFFFAOYSA-M
XLogP0.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene 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-oxo-2-(sulfinatoamino)-1,2-dihydroindene?
The IUPAC name of 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene (CID 18764768) is 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene.
What is the SMILES notation for 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene?
The canonical SMILES for 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene is O=C1c2ccccc2CC1NS(=O)[O-].
What is the InChIKey of 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene?
The InChIKey is FMZQBDJUGJMZJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO3S/c11-9-7-4-2-1-3-6(7)5-8(9)10-14(12)13/h1-4,8,10H,5H2,(H,12,13)/p-1.
What are the key properties of 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene?
3-oxo-2-(sulfinatoamino)-1,2-dihydroindene has a molecular weight of 210.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(sulfinatoamino)-1,2-dihydroindene is sourced from PubChem (CID 18764768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).