methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate

C13H18N2O2S — CID 75522930

IUPACmethyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
SMILESCCC1CN(c2ncccc2C(=O)OC)CCS1
InChIInChI=1S/C13H18N2O2S/c1-3-10-9-15(7-8-18-10)12-11(13(16)17-2)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLGWFKTXSPQKPMR-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate

methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate (PubChem CID 75522930) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
PubChem CID75522930
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
SMILESCCC1CN(c2ncccc2C(=O)OC)CCS1
InChIInChI=1S/C13H18N2O2S/c1-3-10-9-15(7-8-18-10)12-11(13(16)17-2)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyLGWFKTXSPQKPMR-UHFFFAOYSA-N
XLogP2.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-(2-ethylthiomorpholin-4-yl)sulfonylbenzoate
CID 103698292
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
CID 124672500
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134413006
methyl 2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 97307047
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 134413003
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
methyl 2-[(2,3-dimethylthiomorpholin-4-yl)methyl]pyridine-3-carboxylate
CID 114198562
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate (CID 75522930) is methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate is CCC1CN(c2ncccc2C(=O)OC)CCS1.
What is the InChIKey of methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate?
The InChIKey is LGWFKTXSPQKPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-10-9-15(7-8-18-10)12-11(13(16)17-2)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate?
methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 75522930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).