5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine

C11H15FN2S — CID 83129132

IUPAC5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(c2ccc(F)cn2)N1
InChIInChI=1S/C11H15FN2S/c1-11(2)7-15-6-10(14-11)9-4-3-8(12)5-13-9/h3-5,10,14H,6-7H2,1-2H3
InChIKeyFYLLKLSKGOSPCW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.38
Rot. Bonds1

About 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine

5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine (PubChem CID 83129132) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine
PubChem CID83129132
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(c2ccc(F)cn2)N1
InChIInChI=1S/C11H15FN2S/c1-11(2)7-15-6-10(14-11)9-4-3-8(12)5-13-9/h3-5,10,14H,6-7H2,1-2H3
InChIKeyFYLLKLSKGOSPCW-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine (CID 83129132) is 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine is CC1(C)CSCC(c2ccc(F)cn2)N1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine?
The InChIKey is FYLLKLSKGOSPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-11(2)7-15-6-10(14-11)9-4-3-8(12)5-13-9/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine?
5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine has a molecular weight of 226.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-3,3-dimethylthiomorpholine is sourced from PubChem (CID 83129132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).