oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate

C11H14N2O5S — CID 102608651

IUPACoxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2COC2)n(C2CC2)c1
InChIInChI=1S/C11H14N2O5S/c12-19(15,16)9-3-10(13(4-9)7-1-2-7)11(14)18-8-5-17-6-8/h3-4,7-8H,1-2,5-6H2,(H2,12,15,16)
InChIKeyJOZTXWTWKPATSL-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.03
Rot. Bonds4

About oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate

oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 102608651) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID102608651
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Nameoxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2COC2)n(C2CC2)c1
InChIInChI=1S/C11H14N2O5S/c12-19(15,16)9-3-10(13(4-9)7-1-2-7)11(14)18-8-5-17-6-8/h3-4,7-8H,1-2,5-6H2,(H2,12,15,16)
InChIKeyJOZTXWTWKPATSL-UHFFFAOYSA-N
XLogP0.03
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate (CID 102608651) is oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate is NS(=O)(=O)c1cc(C(=O)OC2COC2)n(C2CC2)c1.
What is the InChIKey of oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is JOZTXWTWKPATSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-19(15,16)9-3-10(13(4-9)7-1-2-7)11(14)18-8-5-17-6-8/h3-4,7-8H,1-2,5-6H2,(H2,12,15,16).
What are the key properties of oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate?
oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 102608651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).