(N-amino-S-methylsulfonimidoyl)benzene

C7H10N2OS — CID 129116146

IUPAC(N-amino-S-methylsulfonimidoyl)benzene
SMILESCS(=O)(=NN)c1ccccc1
InChIInChI=1S/C7H10N2OS/c1-11(10,9-8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
InChIKeyBEOAHSGAOMEURD-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.02
Rot. Bonds1

About (N-amino-S-methylsulfonimidoyl)benzene

(N-amino-S-methylsulfonimidoyl)benzene (PubChem CID 129116146) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (N-amino-S-methylsulfonimidoyl)benzene.

Molecular Properties

Compound Name(N-amino-S-methylsulfonimidoyl)benzene
PubChem CID129116146
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(N-amino-S-methylsulfonimidoyl)benzene
SMILESCS(=O)(=NN)c1ccccc1
InChIInChI=1S/C7H10N2OS/c1-11(10,9-8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
InChIKeyBEOAHSGAOMEURD-UHFFFAOYSA-N
XLogP1.02
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (N-amino-S-methylsulfonimidoyl)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 (N-amino-S-methylsulfonimidoyl)benzene?
The IUPAC name of (N-amino-S-methylsulfonimidoyl)benzene (CID 129116146) is (N-amino-S-methylsulfonimidoyl)benzene.
What is the SMILES notation for (N-amino-S-methylsulfonimidoyl)benzene?
The canonical SMILES for (N-amino-S-methylsulfonimidoyl)benzene is CS(=O)(=NN)c1ccccc1.
What is the InChIKey of (N-amino-S-methylsulfonimidoyl)benzene?
The InChIKey is BEOAHSGAOMEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-11(10,9-8)7-5-3-2-4-6-7/h2-6H,8H2,1H3.
What are the key properties of (N-amino-S-methylsulfonimidoyl)benzene?
(N-amino-S-methylsulfonimidoyl)benzene has a molecular weight of 170.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-amino-S-methylsulfonimidoyl)benzene is sourced from PubChem (CID 129116146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).