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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Related Compounds

methyl 2-[4-(4-methoxythiophene-2-carbonyl)morpholin-2-yl]acetate
CID 79807133
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
CID 78926646
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701

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).