4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H15NO6S2 — CID 106099858

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1OCCC1(O)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7-11(15,2-3-18-7)6-12-20(16,17)8-4-9(10(13)14)19-5-8/h4-5,7,12,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyGWVQMMXAJWJPBI-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.26
Rot. Bonds5

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106099858) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106099858
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1OCCC1(O)CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H15NO6S2/c1-7-11(15,2-3-18-7)6-12-20(16,17)8-4-9(10(13)14)19-5-8/h4-5,7,12,15H,2-3,6H2,1H3,(H,13,14)
InChIKeyGWVQMMXAJWJPBI-UHFFFAOYSA-N
XLogP0.26
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106099841
4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099827
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
2,4,6-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271538
4-(2-chloroethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271443
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63618172
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501
5-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106099334

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106099858) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is CC1OCCC1(O)CNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GWVQMMXAJWJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-7-11(15,2-3-18-7)6-12-20(16,17)8-4-9(10(13)14)19-5-8/h4-5,7,12,15H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106099858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).