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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Related Compounds

Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695
Ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 22515783
Methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623771
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625857
methyl 4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 22515648

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).