1-methoxy-2-(sulfinylamino)benzene

C7H7NO2S — CID 598052

IUPAC1-methoxy-2-(sulfinylamino)benzene
SMILESCOc1ccccc1N=S=O
InChIInChI=1S/C7H7NO2S/c1-10-7-5-3-2-4-6(7)8-11-9/h2-5H,1H3
InChIKeyHOFPSCVXLWFARI-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds2

About 1-methoxy-2-(sulfinylamino)benzene

1-methoxy-2-(sulfinylamino)benzene (PubChem CID 598052) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-methoxy-2-(sulfinylamino)benzene.

Molecular Properties

Compound Name1-methoxy-2-(sulfinylamino)benzene
PubChem CID598052
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name1-methoxy-2-(sulfinylamino)benzene
SMILESCOc1ccccc1N=S=O
InChIInChI=1S/C7H7NO2S/c1-10-7-5-3-2-4-6(7)8-11-9/h2-5H,1H3
InChIKeyHOFPSCVXLWFARI-UHFFFAOYSA-N
XLogP1.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-2-(sulfinylamino)benzene 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-methoxy-2-(sulfinylamino)benzene?
The IUPAC name of 1-methoxy-2-(sulfinylamino)benzene (CID 598052) is 1-methoxy-2-(sulfinylamino)benzene.
What is the SMILES notation for 1-methoxy-2-(sulfinylamino)benzene?
The canonical SMILES for 1-methoxy-2-(sulfinylamino)benzene is COc1ccccc1N=S=O.
What is the InChIKey of 1-methoxy-2-(sulfinylamino)benzene?
The InChIKey is HOFPSCVXLWFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-10-7-5-3-2-4-6(7)8-11-9/h2-5H,1H3.
What are the key properties of 1-methoxy-2-(sulfinylamino)benzene?
1-methoxy-2-(sulfinylamino)benzene has a molecular weight of 169.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(sulfinylamino)benzene is sourced from PubChem (CID 598052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).