methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate

C14H19NO4S — CID 115670080

IUPACmethyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate
SMILESCCc1sc(C(=O)N2CCOCC2C(=O)OC)cc1C
InChIInChI=1S/C14H19NO4S/c1-4-11-9(2)7-12(20-11)13(16)15-5-6-19-8-10(15)14(17)18-3/h7,10H,4-6,8H2,1-3H3
InChIKeyMCFSWEAVATVSCT-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.63
Rot. Bonds3

About methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate

methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate (PubChem CID 115670080) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate
PubChem CID115670080
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate
SMILESCCc1sc(C(=O)N2CCOCC2C(=O)OC)cc1C
InChIInChI=1S/C14H19NO4S/c1-4-11-9(2)7-12(20-11)13(16)15-5-6-19-8-10(15)14(17)18-3/h7,10H,4-6,8H2,1-3H3
InChIKeyMCFSWEAVATVSCT-UHFFFAOYSA-N
XLogP1.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate (CID 115670080) is methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate is CCc1sc(C(=O)N2CCOCC2C(=O)OC)cc1C.
What is the InChIKey of methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is MCFSWEAVATVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-11-9(2)7-12(20-11)13(16)15-5-6-19-8-10(15)14(17)18-3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-ethyl-4-methylthiophene-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).