1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid

C13H20N2O4S — CID 43644503

IUPAC1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-14(4-2)20(18,19)11-8-12(13(16)17)15(9-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyMNOGKGLMJPQDBT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.94
Rot. Bonds7

About 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid

1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 43644503) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID43644503
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-14(4-2)20(18,19)11-8-12(13(16)17)15(9-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyMNOGKGLMJPQDBT-UHFFFAOYSA-N
XLogP1.94
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644665
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-N-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612118
1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 82731840
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
4-[2-cyanoethyl(ethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60951093
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
N-(cyclobutylmethyl)-1-cyclopropyl-N-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
CID 107402717
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611191

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid (CID 43644503) is 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid is CCCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is MNOGKGLMJPQDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-7-14(4-2)20(18,19)11-8-12(13(16)17)15(9-11)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid?
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).