3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C10H13NO7S2 — CID 102747994

IUPAC3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCOC(=O)C(CO)NS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C10H13NO7S2/c1-5-4-19-7(9(13)14)8(5)20(16,17)11-6(3-12)10(15)18-2/h4,6,11-12H,3H2,1-2H3,(H,13,14)
InChIKeyRPZCYHSRQVTMGJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.43
Rot. Bonds6

About 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747994) has the molecular formula C10H13NO7S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747994
Molecular FormulaC10H13NO7S2
Molecular Weight323.35 g/mol
Exact Mass323.01
IUPAC Name3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCOC(=O)C(CO)NS(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C10H13NO7S2/c1-5-4-19-7(9(13)14)8(5)20(16,17)11-6(3-12)10(15)18-2/h4,6,11-12H,3H2,1-2H3,(H,13,14)
InChIKeyRPZCYHSRQVTMGJ-UHFFFAOYSA-N
XLogP-0.43
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747994) is 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is COC(=O)C(CO)NS(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is RPZCYHSRQVTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7S2/c1-5-4-19-7(9(13)14)8(5)20(16,17)11-6(3-12)10(15)18-2/h4,6,11-12H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).