methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate

C12H15NO4S2 — CID 78926910

IUPACmethyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CSc2cccs2)CCO1
InChIInChI=1S/C12H15NO4S2/c1-16-12(15)9-7-13(4-5-17-9)10(14)8-19-11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyNDEKUUZNNHSTOL-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.24
Rot. Bonds4

About methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate

methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate (PubChem CID 78926910) has the molecular formula C12H15NO4S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
PubChem CID78926910
Molecular FormulaC12H15NO4S2
Molecular Weight301.39 g/mol
Exact Mass301.04
IUPAC Namemethyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CSc2cccs2)CCO1
InChIInChI=1S/C12H15NO4S2/c1-16-12(15)9-7-13(4-5-17-9)10(14)8-19-11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyNDEKUUZNNHSTOL-UHFFFAOYSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]morpholine-2-carboxylate
CID 78926687
methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
CID 78927122
methyl 4-[2-(4-bromophenyl)sulfanylacetyl]morpholine-2-carboxylate
CID 78926878
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
CID 78986623
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 112627208
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 62372000
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
CID 122159279

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate (CID 78926910) is methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CSc2cccs2)CCO1.
What is the InChIKey of methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate?
The InChIKey is NDEKUUZNNHSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S2/c1-16-12(15)9-7-13(4-5-17-9)10(14)8-19-11-3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate?
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).