1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

C13H18N2O5S — CID 60920665

IUPAC1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCOC2)cn1C1CC1
InChIInChI=1S/C13H18N2O5S/c16-13(17)12-5-11(7-15(12)10-1-2-10)21(18,19)14-6-9-3-4-20-8-9/h5,7,9-10,14H,1-4,6,8H2,(H,16,17)
InChIKeyZOUOQOUAHSFCCR-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.84
Rot. Bonds6

About 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 60920665) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID60920665
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCOC2)cn1C1CC1
InChIInChI=1S/C13H18N2O5S/c16-13(17)12-5-11(7-15(12)10-1-2-10)21(18,19)14-6-9-3-4-20-8-9/h5,7,9-10,14H,1-4,6,8H2,(H,16,17)
InChIKeyZOUOQOUAHSFCCR-UHFFFAOYSA-N
XLogP0.84
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (CID 60920665) is 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCOC2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is ZOUOQOUAHSFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-13(17)12-5-11(7-15(12)10-1-2-10)21(18,19)14-6-9-3-4-20-8-9/h5,7,9-10,14H,1-4,6,8H2,(H,16,17).
What are the key properties of 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 60920665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).