[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate

C14H19NO4S — CID 2362091

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H19NO4S/c1-9-4-5-20-13(9)14(17)18-8-12(16)15-6-10(2)19-11(3)7-15/h4-5,10-11H,6-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyWGFIUCXGAFOKEP-GHMZBOCLSA-N
MW297.38 g/mol
LogP1.85
Rot. Bonds3

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2362091) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2362091
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H19NO4S/c1-9-4-5-20-13(9)14(17)18-8-12(16)15-6-10(2)19-11(3)7-15/h4-5,10-11H,6-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyWGFIUCXGAFOKEP-GHMZBOCLSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18199415
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512396
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849980
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2513155
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 30036936
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 16523608
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2362091) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is WGFIUCXGAFOKEP-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-4-5-20-13(9)14(17)18-8-12(16)15-6-10(2)19-11(3)7-15/h4-5,10-11H,6-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2362091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).