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

C11H18N2O4S — CID 43644484

IUPAC4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C11H18N2O4S/c1-5-12(4)18(16,17)9-6-10(11(14)15)13(7-9)8(2)3/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyDGYJHSLRBGMZGW-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.41
Rot. Bonds5

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

4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43644484) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43644484
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C11H18N2O4S/c1-5-12(4)18(16,17)9-6-10(11(14)15)13(7-9)8(2)3/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyDGYJHSLRBGMZGW-UHFFFAOYSA-N
XLogP1.41
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 60890416
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-(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
4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61044010
4-(2-methylsulfanylethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644614

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43644484) is 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is CCN(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1.
What is the InChIKey of 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is DGYJHSLRBGMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-5-12(4)18(16,17)9-6-10(11(14)15)13(7-9)8(2)3/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).