4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C9H14N2O5S — CID 54876261

IUPAC4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCN(CCO)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O5S/c1-10-6-7(5-8(10)9(13)14)17(15,16)11(2)3-4-12/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyUSESZWFASKIVRW-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.66
Rot. Bonds5

About 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 54876261) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID54876261
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCN(CCO)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O5S/c1-10-6-7(5-8(10)9(13)14)17(15,16)11(2)3-4-12/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyUSESZWFASKIVRW-UHFFFAOYSA-N
XLogP-0.66
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43578740
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
1-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 112658017
4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43588539
4-[ethyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 54878609
4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60950388
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 107483821
4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115319081
1-methyl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 54876209
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
4-[3-(dimethylamino)propyl-methylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 63694139
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 54876261) is 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is CN(CCO)S(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is USESZWFASKIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-10-6-7(5-8(10)9(13)14)17(15,16)11(2)3-4-12/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 54876261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).