methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate

C13H16N2O4S — CID 115669932

IUPACmethyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CSc1ccncc1
InChIInChI=1S/C13H16N2O4S/c1-18-13(17)11-8-19-7-6-15(11)12(16)9-20-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyOCYFGKZEHFUFKX-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.57
Rot. Bonds4

About methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate

methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate (PubChem CID 115669932) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
PubChem CID115669932
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Namemethyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CSc1ccncc1
InChIInChI=1S/C13H16N2O4S/c1-18-13(17)11-8-19-7-6-15(11)12(16)9-20-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyOCYFGKZEHFUFKX-UHFFFAOYSA-N
XLogP0.57
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(4-fluorophenyl)sulfanylacetyl]morpholine-3-carboxylate
CID 115670262
methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate
CID 43422559
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
CID 104774871
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
CID 113251792
methyl 4-[2-(2-aminophenyl)acetyl]morpholine-3-carboxylate
CID 104774429
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
CID 104775330
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate (CID 115669932) is methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CSc1ccncc1.
What is the InChIKey of methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate?
The InChIKey is OCYFGKZEHFUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-18-13(17)11-8-19-7-6-15(11)12(16)9-20-10-2-4-14-5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate?
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate is sourced from PubChem (CID 115669932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).