4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

C14H24N2O4S — CID 43644675

IUPAC4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCC(CC)N(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C14H24N2O4S/c1-6-11(7-2)15(5)21(19,20)12-8-13(14(17)18)16(9-12)10(3)4/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyDRONCTZLNOJLIZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.58
Rot. Bonds7

About 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid

4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43644675) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43644675
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCC(CC)N(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C14H24N2O4S/c1-6-11(7-2)15(5)21(19,20)12-8-13(14(17)18)16(9-12)10(3)4/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyDRONCTZLNOJLIZ-UHFFFAOYSA-N
XLogP2.58
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 60890416
4-[bis(prop-2-enyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644422
4-[butan-2-yl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644524
1-propan-2-yl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60951201
4-(cyanomethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61206942
1-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 112658017
2,4-dimethyl-5-[methyl(pentan-3-yl)sulfamoyl]benzoic acid
CID 43571021
1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167
1-propan-2-yl-4-(2,2,2-trifluoroethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644406

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43644675) is 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is CCC(CC)N(C)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1.
What is the InChIKey of 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is DRONCTZLNOJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-6-11(7-2)15(5)21(19,20)12-8-13(14(17)18)16(9-12)10(3)4/h8-11H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid?
4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).