4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C9H12N2O6S — CID 55119920

IUPAC4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C9H12N2O6S/c1-4(8(10)12)11-18(15,16)7-3-6(9(13)14)17-5(7)2/h3-4,11H,1-2H3,(H2,10,12)(H,13,14)
InChIKeyGYEOFLYHOAPQAR-UHFFFAOYSA-N
MW276.27 g/mol
LogP-0.56
Rot. Bonds5

About 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 55119920) has the molecular formula C9H12N2O6S and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID55119920
Molecular FormulaC9H12N2O6S
Molecular Weight276.27 g/mol
Exact Mass276.04
IUPAC Name4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC(C)C(N)=O
InChIInChI=1S/C9H12N2O6S/c1-4(8(10)12)11-18(15,16)7-3-6(9(13)14)17-5(7)2/h3-4,11H,1-2H3,(H2,10,12)(H,13,14)
InChIKeyGYEOFLYHOAPQAR-UHFFFAOYSA-N
XLogP-0.56
TPSA139.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid 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

5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359
5-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 43545490
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-bromo-4-methylbenzoic acid
CID 81488673
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 55119920) is 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NC(C)C(N)=O.
What is the InChIKey of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is GYEOFLYHOAPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S/c1-4(8(10)12)11-18(15,16)7-3-6(9(13)14)17-5(7)2/h3-4,11H,1-2H3,(H2,10,12)(H,13,14).
What are the key properties of 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 55119920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).