methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

C11H16N2O5S — CID 6625943

IUPACmethyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC2CCCO2)c[nH]1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h5,7-8,12-13H,2-4,6H2,1H3
InChIKeyPGBKEICIPRICTK-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.26
Rot. Bonds5

About methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 6625943) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID6625943
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC2CCCO2)c[nH]1
InChIInChI=1S/C11H16N2O5S/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h5,7-8,12-13H,2-4,6H2,1H3
InChIKeyPGBKEICIPRICTK-UHFFFAOYSA-N
XLogP0.26
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 6625943) is methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCC2CCCO2)c[nH]1.
What is the InChIKey of methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is PGBKEICIPRICTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-17-11(14)10-5-9(7-12-10)19(15,16)13-6-8-3-2-4-18-8/h5,7-8,12-13H,2-4,6H2,1H3.
What are the key properties of methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 6625943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).