4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

C9H14N2O6S — CID 65312614

IUPAC4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC(CO)CO)cc1C(=O)O
InChIInChI=1S/C9H14N2O6S/c1-11-3-7(2-8(11)9(14)15)18(16,17)10-6(4-12)5-13/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyCTIATUITEQFZFZ-UHFFFAOYSA-N
MW278.29 g/mol
LogP-1.65
Rot. Bonds6

About 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 65312614) has the molecular formula C9H14N2O6S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID65312614
Molecular FormulaC9H14N2O6S
Molecular Weight278.29 g/mol
Exact Mass278.06
IUPAC Name4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NC(CO)CO)cc1C(=O)O
InChIInChI=1S/C9H14N2O6S/c1-11-3-7(2-8(11)9(14)15)18(16,17)10-6(4-12)5-13/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyCTIATUITEQFZFZ-UHFFFAOYSA-N
XLogP-1.65
TPSA128.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
4-[(1-amino-3-methyl-1-oxobutan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 104654705
4-(heptan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43421839
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-[(2-amino-2-oxoethoxy)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 112672409
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115754747
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (CID 65312614) is 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)NC(CO)CO)cc1C(=O)O.
What is the InChIKey of 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is CTIATUITEQFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S/c1-11-3-7(2-8(11)9(14)15)18(16,17)10-6(4-12)5-13/h2-3,6,10,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 65312614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).