1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid

C13H18N2O5S — CID 82731840

IUPAC1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C13H18N2O5S/c1-14(10-4-5-20-8-10)21(18,19)11-6-12(13(16)17)15(7-11)9-2-3-9/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyKBDMOLQHYOHRJI-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.93
Rot. Bonds5

About 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 82731840) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID82731840
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C13H18N2O5S/c1-14(10-4-5-20-8-10)21(18,19)11-6-12(13(16)17)15(7-11)9-2-3-9/h6-7,9-10H,2-5,8H2,1H3,(H,16,17)
InChIKeyKBDMOLQHYOHRJI-UHFFFAOYSA-N
XLogP0.93
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 82731840) is 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid is CN(C1CCOC1)S(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is KBDMOLQHYOHRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14(10-4-5-20-8-10)21(18,19)11-6-12(13(16)17)15(7-11)9-2-3-9/h6-7,9-10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 82731840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).