methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate

C11H15NO3S — CID 121224668

IUPACmethyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)cc1C
InChIInChI=1S/C11H15NO3S/c1-8-7-9(12-3-5-15-6-4-12)16-10(8)11(13)14-2/h7H,3-6H2,1-2H3
InChIKeyHUSXDUCTYIYCKE-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.68
Rot. Bonds2

About methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate

methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate (PubChem CID 121224668) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
PubChem CID121224668
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)cc1C
InChIInChI=1S/C11H15NO3S/c1-8-7-9(12-3-5-15-6-4-12)16-10(8)11(13)14-2/h7H,3-6H2,1-2H3
InChIKeyHUSXDUCTYIYCKE-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
methyl 3-amino-4-carbamoyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419080
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
methyl 3-amino-4-(methylcarbamoyl)-5-morpholin-4-ylthiophene-2-carboxylate
CID 103419039
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate
CID 11022019
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
methyl 4-methyl-3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylate
CID 102749171

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate (CID 121224668) is methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate is COC(=O)c1sc(N2CCOCC2)cc1C.
What is the InChIKey of methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate?
The InChIKey is HUSXDUCTYIYCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-7-9(12-3-5-15-6-4-12)16-10(8)11(13)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate?
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate is sourced from PubChem (CID 121224668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).