3-amino-4-methoxy-N-methylbenzenesulfinamide

C8H12N2O2S — CID 145216665

IUPAC3-amino-4-methoxy-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C8H12N2O2S/c1-10-13(11)6-3-4-8(12-2)7(9)5-6/h3-5,10H,9H2,1-2H3
InChIKeyZZJFVMIQNOJJIA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-4-methoxy-N-methylbenzenesulfinamide

3-amino-4-methoxy-N-methylbenzenesulfinamide (PubChem CID 145216665) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methylbenzenesulfinamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methylbenzenesulfinamide
PubChem CID145216665
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-amino-4-methoxy-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C8H12N2O2S/c1-10-13(11)6-3-4-8(12-2)7(9)5-6/h3-5,10H,9H2,1-2H3
InChIKeyZZJFVMIQNOJJIA-UHFFFAOYSA-N
XLogP0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methylbenzenesulfinamide?
The IUPAC name of 3-amino-4-methoxy-N-methylbenzenesulfinamide (CID 145216665) is 3-amino-4-methoxy-N-methylbenzenesulfinamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methylbenzenesulfinamide?
The canonical SMILES for 3-amino-4-methoxy-N-methylbenzenesulfinamide is CNS(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-methylbenzenesulfinamide?
The InChIKey is ZZJFVMIQNOJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-10-13(11)6-3-4-8(12-2)7(9)5-6/h3-5,10H,9H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-methylbenzenesulfinamide?
3-amino-4-methoxy-N-methylbenzenesulfinamide has a molecular weight of 200.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methylbenzenesulfinamide is sourced from PubChem (CID 145216665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).