4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

C12H20N2O5S — CID 62332568

IUPAC4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(O)CN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C12H20N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13(4)6-9(3)15/h5,7-9,15H,6H2,1-4H3,(H,16,17)
InChIKeyVONWLKJTRYZWBB-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.77
Rot. Bonds6

About 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 62332568) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID62332568
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(O)CN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C12H20N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13(4)6-9(3)15/h5,7-9,15H,6H2,1-4H3,(H,16,17)
InChIKeyVONWLKJTRYZWBB-UHFFFAOYSA-N
XLogP0.77
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 60890416
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644675
4-[bis(prop-2-enyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644422
1-propan-2-yl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60951201
1-propan-2-yl-4-(2,2,2-trifluoroethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644406
4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61044010
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
4-(cyanomethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61206942
1-propan-2-yl-4-(3,3,3-trifluoropropylsulfamoyl)pyrrole-2-carboxylic acid
CID 63226046
1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (CID 62332568) is 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is CC(O)CN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is VONWLKJTRYZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-8(2)14-7-10(5-11(14)12(16)17)20(18,19)13(4)6-9(3)15/h5,7-9,15H,6H2,1-4H3,(H,16,17).
What are the key properties of 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 62332568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).