2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid

C11H16N2O4S — CID 62637563

IUPAC2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid
SMILESCNS(=O)(=O)c1ccccc1N(C)C(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8(11(14)15)13(3)9-6-4-5-7-10(9)18(16,17)12-2/h4-8,12H,1-3H3,(H,14,15)
InChIKeySYPZSCACAVGLSS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.50
Rot. Bonds5

About 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid

2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid (PubChem CID 62637563) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid
PubChem CID62637563
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid
SMILESCNS(=O)(=O)c1ccccc1N(C)C(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-8(11(14)15)13(3)9-6-4-5-7-10(9)18(16,17)12-2/h4-8,12H,1-3H3,(H,14,15)
InChIKeySYPZSCACAVGLSS-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid?
The IUPAC name of 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid (CID 62637563) is 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid?
The canonical SMILES for 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid is CNS(=O)(=O)c1ccccc1N(C)C(C)C(=O)O.
What is the InChIKey of 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid?
The InChIKey is SYPZSCACAVGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(11(14)15)13(3)9-6-4-5-7-10(9)18(16,17)12-2/h4-8,12H,1-3H3,(H,14,15).
What are the key properties of 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid?
2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid is sourced from PubChem (CID 62637563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).