4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H16N2O6S — CID 106099841

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC1OCCC1(O)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H16N2O6S/c1-7-11(16,2-3-19-7)6-13-20(17,18)8-4-9(10(14)15)12-5-8/h4-5,7,12-13,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyGAPCXKXCAOFCGE-UHFFFAOYSA-N
MW304.32 g/mol
LogP-0.47
Rot. Bonds5

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 106099841) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID106099841
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC1OCCC1(O)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H16N2O6S/c1-7-11(16,2-3-19-7)6-13-20(17,18)8-4-9(10(14)15)12-5-8/h4-5,7,12-13,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyGAPCXKXCAOFCGE-UHFFFAOYSA-N
XLogP-0.47
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099858
4-amino-3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099374
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
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-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 107301756
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 107271404
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 107271510
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 107271501

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 106099841) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is CC1OCCC1(O)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is GAPCXKXCAOFCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-7-11(16,2-3-19-7)6-13-20(17,18)8-4-9(10(14)15)12-5-8/h4-5,7,12-13,16H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 106099841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).