4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

C11H18N2O6S — CID 66169532

IUPAC4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(O)CO)cc1C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-2-3-13-6-9(4-10(13)11(16)17)20(18,19)12-5-8(15)7-14/h4,6,8,12,14-15H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCYCKSDNCSUQIGJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.77
Rot. Bonds8

About 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 66169532) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID66169532
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(O)CO)cc1C(=O)O
InChIInChI=1S/C11H18N2O6S/c1-2-3-13-6-9(4-10(13)11(16)17)20(18,19)12-5-8(15)7-14/h4,6,8,12,14-15H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyCYCKSDNCSUQIGJ-UHFFFAOYSA-N
XLogP-0.77
TPSA128.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 104551545
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-(2-prop-2-enylsulfanylethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 106426813

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (CID 66169532) is 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NCC(O)CO)cc1C(=O)O.
What is the InChIKey of 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is CYCKSDNCSUQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-2-3-13-6-9(4-10(13)11(16)17)20(18,19)12-5-8(15)7-14/h4,6,8,12,14-15H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of -0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 66169532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).