4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

C10H16N2O5S — CID 43498989

IUPAC4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C10H16N2O5S/c1-3-7(6-13)11-18(16,17)8-4-9(10(14)15)12(2)5-8/h4-5,7,11,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyOYTKEDUWTQEMMM-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.23
Rot. Bonds6

About 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 43498989) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID43498989
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCCC(CO)NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C10H16N2O5S/c1-3-7(6-13)11-18(16,17)8-4-9(10(14)15)12(2)5-8/h4-5,7,11,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyOYTKEDUWTQEMMM-UHFFFAOYSA-N
XLogP-0.23
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
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
4-(1-aminobutan-2-ylsulfamoyl)-N,1-dimethylpyrrole-2-carboxamide
CID 65193315
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
(2S)-2-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61142375
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107216134
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (CID 43498989) is 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is CCC(CO)NS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OYTKEDUWTQEMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-3-7(6-13)11-18(16,17)8-4-9(10(14)15)12(2)5-8/h4-5,7,11,13H,3,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43498989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).