4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C9H14N2O5S — CID 93081616

IUPAC4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O5S/c1-6(12)4-10-17(15,16)7-3-8(9(13)14)11(2)5-7/h3,5-6,10,12H,4H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyFLZBIEZGSUFRHM-ZCFIWIBFSA-N
MW262.29 g/mol
LogP-0.62
Rot. Bonds5

About 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 93081616) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID93081616
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C9H14N2O5S/c1-6(12)4-10-17(15,16)7-3-8(9(13)14)11(2)5-7/h3,5-6,10,12H,4H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyFLZBIEZGSUFRHM-ZCFIWIBFSA-N
XLogP-0.62
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
4-[(1-amino-3-methyl-1-oxobutan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 104654705
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-(heptan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43421839

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 93081616) is 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is C[C@@H](O)CNS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is FLZBIEZGSUFRHM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-6(12)4-10-17(15,16)7-3-8(9(13)14)11(2)5-7/h3,5-6,10,12H,4H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 93081616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).