oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate

C13H18N2O5S — CID 114612767

IUPACoxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCOC2)n(C2CCC2)c1
InChIInChI=1S/C13H18N2O5S/c14-21(17,18)11-6-12(15(7-11)9-2-1-3-9)13(16)20-10-4-5-19-8-10/h6-7,9-10H,1-5,8H2,(H2,14,17,18)
InChIKeyZOVAYSPTAOHMKV-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.81
Rot. Bonds4

About oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate

oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612767) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612767
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Nameoxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCOC2)n(C2CCC2)c1
InChIInChI=1S/C13H18N2O5S/c14-21(17,18)11-6-12(15(7-11)9-2-1-3-9)13(16)20-10-4-5-19-8-10/h6-7,9-10H,1-5,8H2,(H2,14,17,18)
InChIKeyZOVAYSPTAOHMKV-UHFFFAOYSA-N
XLogP0.81
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612767) is oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate is NS(=O)(=O)c1cc(C(=O)OC2CCOC2)n(C2CCC2)c1.
What is the InChIKey of oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is ZOVAYSPTAOHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c14-21(17,18)11-6-12(15(7-11)9-2-1-3-9)13(16)20-10-4-5-19-8-10/h6-7,9-10H,1-5,8H2,(H2,14,17,18).
What are the key properties of oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate?
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).