methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate

C13H20N2O5S — CID 75400499

IUPACmethyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2(CCO)CCC2)cn1C
InChIInChI=1S/C13H20N2O5S/c1-15-9-10(8-11(15)12(17)20-2)21(18,19)14-13(6-7-16)4-3-5-13/h8-9,14,16H,3-7H2,1-2H3
InChIKeyWXHAWLIUKYPFTM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.40
Rot. Bonds6

About methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 75400499) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID75400499
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Namemethyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2(CCO)CCC2)cn1C
InChIInChI=1S/C13H20N2O5S/c1-15-9-10(8-11(15)12(17)20-2)21(18,19)14-13(6-7-16)4-3-5-13/h8-9,14,16H,3-7H2,1-2H3
InChIKeyWXHAWLIUKYPFTM-UHFFFAOYSA-N
XLogP0.40
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 75400499) is methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2(CCO)CCC2)cn1C.
What is the InChIKey of methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is WXHAWLIUKYPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-15-9-10(8-11(15)12(17)20-2)21(18,19)14-13(6-7-16)4-3-5-13/h8-9,14,16H,3-7H2,1-2H3.
What are the key properties of methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-hydroxyethyl)cyclobutyl]sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 75400499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).