4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine

C12H18N2OS — CID 144686812

IUPAC4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
SMILESCCSc1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C12H18N2OS/c1-2-16-12-4-3-11(13-9-12)10-14-5-7-15-8-6-14/h3-4,9H,2,5-8,10H2,1H3
InChIKeyREFMTZCIJVBCOF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.03
Rot. Bonds4

About 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine

4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine (PubChem CID 144686812) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
PubChem CID144686812
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
SMILESCCSc1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C12H18N2OS/c1-2-16-12-4-3-11(13-9-12)10-14-5-7-15-8-6-14/h3-4,9H,2,5-8,10H2,1H3
InChIKeyREFMTZCIJVBCOF-UHFFFAOYSA-N
XLogP2.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
CID 11266319
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
[6-(morpholin-4-ylmethyl)-3-pyridinyl] 4-methylbenzenesulfonate
CID 86584502
4-[[5-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]methyl]morpholine
CID 146252768
4-[(6-chloropyridazin-3-yl)methyl]morpholine
CID 104513452
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine (CID 144686812) is 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine is CCSc1ccc(CN2CCOCC2)nc1.
What is the InChIKey of 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine?
The InChIKey is REFMTZCIJVBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-16-12-4-3-11(13-9-12)10-14-5-7-15-8-6-14/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine?
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine has a molecular weight of 238.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 144686812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).