ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate

C15H19NO4S — CID 107776900

IUPACethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1SCC1(CC(=O)OC)CC1
InChIInChI=1S/C15H19NO4S/c1-3-20-14(18)11-5-4-8-16-13(11)21-10-15(6-7-15)9-12(17)19-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyLLKOAXFIEGUAKI-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.69
Rot. Bonds7

About ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate

ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate (PubChem CID 107776900) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate
PubChem CID107776900
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1SCC1(CC(=O)OC)CC1
InChIInChI=1S/C15H19NO4S/c1-3-20-14(18)11-5-4-8-16-13(11)21-10-15(6-7-15)9-12(17)19-2/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyLLKOAXFIEGUAKI-UHFFFAOYSA-N
XLogP2.69
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate with MolForge

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Related Compounds

3-[(3-ethoxycarbonyl-2-pyridinyl)sulfanyl]propanoic acid
CID 24693927
ethyl 2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carboxylate
CID 3336540
methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107776910
methyl 2-[1-[(4-chlorophthalazin-1-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777562
ethyl 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4284635
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
CID 60722786
methyl 2-[1-[(2-amino-1-pyridin-2-ylpropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777330
methyl 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107777125
methyl 2-[1-[(3,4-diaminophenyl)sulfanylmethyl]cyclopropyl]acetate
CID 107777302
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate (CID 107776900) is ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1SCC1(CC(=O)OC)CC1.
What is the InChIKey of ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate?
The InChIKey is LLKOAXFIEGUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-3-20-14(18)11-5-4-8-16-13(11)21-10-15(6-7-15)9-12(17)19-2/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate?
ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 107776900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).