5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

C10H14N2O5S2 — CID 63329090

IUPAC5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H14N2O5S2/c1-5(9(13)11-3)12-19(16,17)8-4-7(10(14)15)18-6(8)2/h4-5,12H,1-3H3,(H,11,13)(H,14,15)
InChIKeyUCUIYDYHHWXTAE-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.17
Rot. Bonds5

About 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63329090) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63329090
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H14N2O5S2/c1-5(9(13)11-3)12-19(16,17)8-4-7(10(14)15)18-6(8)2/h4-5,12H,1-3H3,(H,11,13)(H,14,15)
InChIKeyUCUIYDYHHWXTAE-UHFFFAOYSA-N
XLogP0.17
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-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

4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328950
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114160472
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63329135
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781
4-(1-cyanobutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328576
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115690344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid (CID 63329090) is 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is CNC(=O)C(C)NS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UCUIYDYHHWXTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-5(9(13)11-3)12-19(16,17)8-4-7(10(14)15)18-6(8)2/h4-5,12H,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63329090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).