4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

C13H22N2O4S — CID 43644518

IUPAC4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-5-6-15-9-11(7-12(15)13(16)17)20(18,19)14(4)8-10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyRMVXJVSMNJTOAW-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.87
Rot. Bonds7

About 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (PubChem CID 43644518) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
PubChem CID43644518
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(C)CC(C)C)cc1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-5-6-15-9-11(7-12(15)13(16)17)20(18,19)14(4)8-10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyRMVXJVSMNJTOAW-UHFFFAOYSA-N
XLogP1.87
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 104551545
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 60952035
4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644688
4-[1-cyanopropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 63223189
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[butan-2-yl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644524
4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
4-[3-(dimethylamino)propyl-methylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 63694139
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (CID 43644518) is 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)N(C)CC(C)C)cc1C(=O)O.
What is the InChIKey of 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The InChIKey is RMVXJVSMNJTOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-5-6-15-9-11(7-12(15)13(16)17)20(18,19)14(4)8-10(2)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).