methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate

C14H20N2O4S — CID 78925845

IUPACmethyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NCCc2cccs2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-19-14(18)12-9-16(6-7-20-12)10-13(17)15-5-4-11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,15,17)
InChIKeyHPLHLIORQPYACM-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.28
Rot. Bonds6

About methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate

methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate (PubChem CID 78925845) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
PubChem CID78925845
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)NCCc2cccs2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-19-14(18)12-9-16(6-7-20-12)10-13(17)15-5-4-11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,15,17)
InChIKeyHPLHLIORQPYACM-UHFFFAOYSA-N
XLogP0.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-oxo-2-(propylamino)ethyl]morpholine-2-carboxylate
CID 78926469
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
CID 78926687
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028686
methyl 4-[2-(tert-butylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926407
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate (CID 78925845) is methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(=O)NCCc2cccs2)CCO1.
What is the InChIKey of methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate?
The InChIKey is HPLHLIORQPYACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-14(18)12-9-16(6-7-20-12)10-13(17)15-5-4-11-3-2-8-21-11/h2-3,8,12H,4-7,9-10H2,1H3,(H,15,17).
What are the key properties of methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate?
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate is sourced from PubChem (CID 78925845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).