methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate

C12H15NO5S — CID 79465235

IUPACmethyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(OC)cs2)CCO1
InChIInChI=1S/C12H15NO5S/c1-16-8-5-10(19-7-8)11(14)13-3-4-18-9(6-13)12(15)17-2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyNNUQUBKHCKMFQK-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.77
Rot. Bonds3

About methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate

methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate (PubChem CID 79465235) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
PubChem CID79465235
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Namemethyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(OC)cs2)CCO1
InChIInChI=1S/C12H15NO5S/c1-16-8-5-10(19-7-8)11(14)13-3-4-18-9(6-13)12(15)17-2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyNNUQUBKHCKMFQK-UHFFFAOYSA-N
XLogP0.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate (CID 79465235) is methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cc(OC)cs2)CCO1.
What is the InChIKey of methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate?
The InChIKey is NNUQUBKHCKMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-16-8-5-10(19-7-8)11(14)13-3-4-18-9(6-13)12(15)17-2/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate?
methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxythiophene-2-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 79465235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).