4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C11H18N2O6S — CID 106185815

IUPAC4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C
InChIInChI=1S/C11H18N2O6S/c1-6-9(11(15)16)12-7(2)10(6)20(17,18)13-8(4-14)5-19-3/h8,12-14H,4-5H2,1-3H3,(H,15,16)
InChIKeyNKXNESHIZDWOMD-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.38
Rot. Bonds7

About 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 106185815) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID106185815
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C
InChIInChI=1S/C11H18N2O6S/c1-6-9(11(15)16)12-7(2)10(6)20(17,18)13-8(4-14)5-19-3/h8,12-14H,4-5H2,1-3H3,(H,15,16)
InChIKeyNKXNESHIZDWOMD-UHFFFAOYSA-N
XLogP-0.38
TPSA128.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

4-(1-ethoxypropan-2-ylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81423115
3,5-dimethyl-4-(1-methylsulfonylpropan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81435479
3,5-dimethyl-4-(prop-2-ynylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423568
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878
3,5-dimethyl-4-(pyrimidin-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81423429
4-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 114755952
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114155512
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
4-(cyclopentyloxysulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 83229318
2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185831
3,5-dimethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 81434955

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 106185815) is 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is COCC(CO)NS(=O)(=O)c1c(C)[nH]c(C(=O)O)c1C.
What is the InChIKey of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is NKXNESHIZDWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-6-9(11(15)16)12-7(2)10(6)20(17,18)13-8(4-14)5-19-3/h8,12-14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of -0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 106185815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).