methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate

C13H21N3O5S — CID 20938628

IUPACmethyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)cn1C
InChIInChI=1S/C13H21N3O5S/c1-15-10-11(9-12(15)13(17)20-2)22(18,19)14-3-4-16-5-7-21-8-6-16/h9-10,14H,3-8H2,1-2H3
InChIKeyIJBJXMAFIMTSSN-UHFFFAOYSA-N
MW331.39 g/mol
LogP-0.58
Rot. Bonds6

About methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate

methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 20938628) has the molecular formula C13H21N3O5S and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate
PubChem CID20938628
Molecular FormulaC13H21N3O5S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Namemethyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)cn1C
InChIInChI=1S/C13H21N3O5S/c1-15-10-11(9-12(15)13(17)20-2)22(18,19)14-3-4-16-5-7-21-8-6-16/h9-10,14H,3-8H2,1-2H3
InChIKeyIJBJXMAFIMTSSN-UHFFFAOYSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate (CID 20938628) is methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCN2CCOCC2)cn1C.
What is the InChIKey of methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is IJBJXMAFIMTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S/c1-15-10-11(9-12(15)13(17)20-2)22(18,19)14-3-4-16-5-7-21-8-6-16/h9-10,14H,3-8H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate?
methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 331.39 g/mol, XLogP of -0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(2-morpholin-4-ylethylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 20938628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).