N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine

C8H10NO2PS — CID 24834923

IUPACN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
SMILESCNP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13)
InChIKeyADQHQMMZKBOJMZ-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.04
Rot. Bonds1

About N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine

N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine (PubChem CID 24834923) has the molecular formula C8H10NO2PS and a molecular weight of 215.21 g/mol. Its IUPAC name is N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.

Molecular Properties

Compound NameN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
PubChem CID24834923
Molecular FormulaC8H10NO2PS
Molecular Weight215.21 g/mol
Exact Mass215.02
IUPAC NameN-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
SMILESCNP1(=S)OCc2ccccc2O1
InChIInChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13)
InChIKeyADQHQMMZKBOJMZ-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-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 N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The IUPAC name of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine (CID 24834923) is N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.
What is the SMILES notation for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The canonical SMILES for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine is CNP1(=S)OCc2ccccc2O1.
What is the InChIKey of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
The InChIKey is ADQHQMMZKBOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3,(H,9,13).
What are the key properties of N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine?
N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine has a molecular weight of 215.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine is sourced from PubChem (CID 24834923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).