(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate

C12H16N2O5S — CID 46789274

IUPAC(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O
InChIInChI=1S/C12H16N2O5S/c1-8(11(13)15)19-12(16)9-4-6-10(7-5-9)20(17,18)14(2)3/h4-8H,1-3H3,(H2,13,15)
InChIKeyJESLZSSQUNIEEH-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.03
Rot. Bonds5

About (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate

(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate (PubChem CID 46789274) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
PubChem CID46789274
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O
InChIInChI=1S/C12H16N2O5S/c1-8(11(13)15)19-12(16)9-4-6-10(7-5-9)20(17,18)14(2)3/h4-8H,1-3H3,(H2,13,15)
InChIKeyJESLZSSQUNIEEH-UHFFFAOYSA-N
XLogP-0.03
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 2603479
[(2S)-1-oxo-1-phenylpropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 40611767
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 46789221
[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 7448357
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133591
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514955
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2600668

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate (CID 46789274) is (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate is CC(OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate?
The InChIKey is JESLZSSQUNIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8(11(13)15)19-12(16)9-4-6-10(7-5-9)20(17,18)14(2)3/h4-8H,1-3H3,(H2,13,15).
What are the key properties of (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate?
(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate has a molecular weight of 300.34 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 46789274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).