2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide

C10H14N2O2S — CID 81183802

IUPAC2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1cc(C)ccc1N
InChIInChI=1S/C10H14N2O2S/c1-7-3-4-8(11)9(5-7)15(14)6-10(13)12-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyJXJYWPJGYVBQPC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide

2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide (PubChem CID 81183802) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
PubChem CID81183802
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1cc(C)ccc1N
InChIInChI=1S/C10H14N2O2S/c1-7-3-4-8(11)9(5-7)15(14)6-10(13)12-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKeyJXJYWPJGYVBQPC-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.43
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 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide (CID 81183802) is 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide is CNC(=O)CS(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide?
The InChIKey is JXJYWPJGYVBQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-3-4-8(11)9(5-7)15(14)6-10(13)12-2/h3-5H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide?
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide has a molecular weight of 226.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide is sourced from PubChem (CID 81183802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).