methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate

C11H15NO3S — CID 68805538

IUPACmethyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1CN1CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(13)10-9(2-7-16-10)8-12-3-5-15-6-4-12/h2,7H,3-6,8H2,1H3
InChIKeyXQWGWBRKMQCTFA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.37
Rot. Bonds3

About methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate

methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate (PubChem CID 68805538) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate
PubChem CID68805538
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Namemethyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1CN1CCOCC1
InChIInChI=1S/C11H15NO3S/c1-14-11(13)10-9(2-7-16-10)8-12-3-5-15-6-4-12/h2,7H,3-6,8H2,1H3
InChIKeyXQWGWBRKMQCTFA-UHFFFAOYSA-N
XLogP1.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate (CID 68805538) is methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate is COC(=O)c1sccc1CN1CCOCC1.
What is the InChIKey of methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
The InChIKey is XQWGWBRKMQCTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-11(13)10-9(2-7-16-10)8-12-3-5-15-6-4-12/h2,7H,3-6,8H2,1H3.
What are the key properties of methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate?
methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate has a molecular weight of 241.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(morpholin-4-ylmethyl)thiophene-2-carboxylate is sourced from PubChem (CID 68805538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).