[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate

C13H17NO4S — CID 2999093

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cccs2)CC(C)O1
InChIInChI=1S/C13H17NO4S/c1-9-6-14(7-10(2)18-9)12(15)8-17-13(16)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyHMRSGPNJJNNCOX-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.54
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2999093) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2999093
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1CN(C(=O)COC(=O)c2cccs2)CC(C)O1
InChIInChI=1S/C13H17NO4S/c1-9-6-14(7-10(2)18-9)12(15)8-17-13(16)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyHMRSGPNJJNNCOX-UHFFFAOYSA-N
XLogP1.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4649226
Thiophene-2-carboxylic acid 1-cyclohexylcarbamoyl-propyl ester
CID 645876
Thiophene-2-carboxylic acid 3-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-butyl ester
CID 648442
Thiophene-2-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 650527
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2379586
3-Methyl-2-thiophenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2431072
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2346224
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2352391
(2-Oxo-2-piperidin-1-ylethyl) thiophene-2-carboxylate
CID 2356154
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 3338624

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 2999093) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate is CC1CN(C(=O)COC(=O)c2cccs2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is HMRSGPNJJNNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-6-14(7-10(2)18-9)12(15)8-17-13(16)11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2999093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).