1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid

C14H20N2O4S — CID 43644665

IUPAC1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C14H20N2O4S/c1-9(10-3-4-10)15(2)21(19,20)12-7-13(14(17)18)16(8-12)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyRIJGQDBXVSHCJQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.94
Rot. Bonds6

About 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid

1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 43644665) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID43644665
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C14H20N2O4S/c1-9(10-3-4-10)15(2)21(19,20)12-7-13(14(17)18)16(8-12)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyRIJGQDBXVSHCJQ-UHFFFAOYSA-N
XLogP1.94
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644503
1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 82731840
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 104551545
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783
1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644315
1-cyclopropyl-4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 107215627
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid (CID 43644665) is 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid is CC(C1CC1)N(C)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is RIJGQDBXVSHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(10-3-4-10)15(2)21(19,20)12-7-13(14(17)18)16(8-12)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid?
1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).