methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate

C13H16N2O5S — CID 78927122

IUPACmethyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CNC(=O)c2cccs2)CCO1
InChIInChI=1S/C13H16N2O5S/c1-19-13(18)9-8-15(4-5-20-9)11(16)7-14-12(17)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyQYKGPFDBSWTWAX-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.12
Rot. Bonds4

About methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate

methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate (PubChem CID 78927122) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
PubChem CID78927122
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Namemethyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CNC(=O)c2cccs2)CCO1
InChIInChI=1S/C13H16N2O5S/c1-19-13(18)9-8-15(4-5-20-9)11(16)7-14-12(17)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyQYKGPFDBSWTWAX-UHFFFAOYSA-N
XLogP-0.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 81208598
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
CID 78926687
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
N-[2-oxo-2-[(2R)-2-propan-2-ylthiomorpholin-4-yl]ethyl]thiophene-2-carboxamide
CID 124607970
N-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 115775171
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate (CID 78927122) is methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CNC(=O)c2cccs2)CCO1.
What is the InChIKey of methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate?
The InChIKey is QYKGPFDBSWTWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-19-13(18)9-8-15(4-5-20-9)11(16)7-14-12(17)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,17).
What are the key properties of methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 78927122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).