4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid

C11H15NO6S2 — CID 61072437

IUPAC4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7(11(15)18-3)5-12(2)20(16,17)8-4-9(10(13)14)19-6-8/h4,6-7H,5H2,1-3H3,(H,13,14)
InChIKeyGOYWZDPBNJTEIK-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.88
Rot. Bonds6

About 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid

4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072437) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072437
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7(11(15)18-3)5-12(2)20(16,17)8-4-9(10(13)14)19-6-8/h4,6-7H,5H2,1-3H3,(H,13,14)
InChIKeyGOYWZDPBNJTEIK-UHFFFAOYSA-N
XLogP0.88
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Morpholin-4-ylsulfonyl)thiophene-2-carboxylic acid
CID 9361763
3-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 16227157
4-(Isopropylsulfonyl)thiophene-2-carboxylic acid
CID 2820031
4-Sulfamoylthiophene-2-carboxylic acid
CID 1273926
3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
3-{[4-(Hydroxymethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 43329031
4-(Pyrrolidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 706587
4-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 8033933
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023
5-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907426
3-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54942014
5-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55011664

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid (CID 61072437) is 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid is COC(=O)C(C)CN(C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GOYWZDPBNJTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-7(11(15)18-3)5-12(2)20(16,17)8-4-9(10(13)14)19-6-8/h4,6-7H,5H2,1-3H3,(H,13,14).
What are the key properties of 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).