4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H14N2O5S2 — CID 106095780

IUPAC4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H14N2O5S2/c1-10(2,4-8(11)13)12-19(16,17)6-3-7(9(14)15)18-5-6/h3,5,12H,4H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyGSSMVBYMPGLXAE-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.38
Rot. Bonds6

About 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106095780) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID106095780
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(CC(N)=O)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H14N2O5S2/c1-10(2,4-8(11)13)12-19(16,17)6-3-7(9(14)15)18-5-6/h3,5,12H,4H2,1-2H3,(H2,11,13)(H,14,15)
InChIKeyGSSMVBYMPGLXAE-UHFFFAOYSA-N
XLogP0.38
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106168486
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
3-[(6-amino-5-chloro-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106098350
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61062567
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 146134175
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095511

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 106095780) is 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)(CC(N)=O)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GSSMVBYMPGLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-10(2,4-8(11)13)12-19(16,17)6-3-7(9(14)15)18-5-6/h3,5,12H,4H2,1-2H3,(H2,11,13)(H,14,15).
What are the key properties of 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methyl-4-oxobutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106095780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).