4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid

C14H24N2O4S — CID 61044010

IUPAC4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C14H24N2O4S/c1-10(2)6-5-7-15-21(19,20)12-8-13(14(17)18)16(9-12)11(3)4/h8-11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyNZLKYYVDTQBZFC-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.48
Rot. Bonds8

About 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid

4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 61044010) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID61044010
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCC(C)CCCNS(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C14H24N2O4S/c1-10(2)6-5-7-15-21(19,20)12-8-13(14(17)18)16(9-12)11(3)4/h8-11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyNZLKYYVDTQBZFC-UHFFFAOYSA-N
XLogP2.48
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylsulfanylethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644614
1-propan-2-yl-4-(3,3,3-trifluoropropylsulfamoyl)pyrrole-2-carboxylic acid
CID 63226046
4-(cyanomethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61206942
1-propan-2-yl-4-(2,2,2-trifluoroethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644406
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 107215988
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
5-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682888

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid (CID 61044010) is 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid is CC(C)CCCNS(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1.
What is the InChIKey of 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is NZLKYYVDTQBZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-10(2)6-5-7-15-21(19,20)12-8-13(14(17)18)16(9-12)11(3)4/h8-11,15H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 61044010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).