3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine

C11H15FN2S — CID 83129028

IUPAC3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine
SMILESCCC1CSCC(c2ccc(F)cn2)N1
InChIInChI=1S/C11H15FN2S/c1-2-9-6-15-7-11(14-9)10-4-3-8(12)5-13-10/h3-5,9,11,14H,2,6-7H2,1H3
InChIKeyWEPMAFCBDLCAOA-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.38
Rot. Bonds2

About 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine

3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine (PubChem CID 83129028) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine.

Molecular Properties

Compound Name3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine
PubChem CID83129028
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine
SMILESCCC1CSCC(c2ccc(F)cn2)N1
InChIInChI=1S/C11H15FN2S/c1-2-9-6-15-7-11(14-9)10-4-3-8(12)5-13-10/h3-5,9,11,14H,2,6-7H2,1H3
InChIKeyWEPMAFCBDLCAOA-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine
CID 83129132
3-ethyl-5-(4-methylphenyl)thiomorpholine
CID 66228430
3-(5-fluoro-2-pyridinyl)-7-methyl-1,4-thiazepane
CID 83128831
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
(2S,5S)-2-ethyl-5-(4-fluorophenyl)pyrrolidine
CID 146633643
2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol
CID 83128947
2,5-difluoropyridine;ethane
CID 156832194
3-(5-fluoro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 83129631
2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazolidine
CID 66229355
5,5-diethyl-2-(5-fluoro-2-pyridinyl)-3-methylmorpholine
CID 112585694
methyl 5-(5-fluoro-2-pyridinyl)-6-methylthiomorpholine-3-carboxylate
CID 112586707
2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
CID 83128332

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine?
The IUPAC name of 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine (CID 83129028) is 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine.
What is the SMILES notation for 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine?
The canonical SMILES for 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine is CCC1CSCC(c2ccc(F)cn2)N1.
What is the InChIKey of 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine?
The InChIKey is WEPMAFCBDLCAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-2-9-6-15-7-11(14-9)10-4-3-8(12)5-13-10/h3-5,9,11,14H,2,6-7H2,1H3.
What are the key properties of 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine?
3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine has a molecular weight of 226.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-fluoro-2-pyridinyl)thiomorpholine is sourced from PubChem (CID 83129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).