7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C14H19FN2O3S — CID 168907520

IUPAC7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3cncc(F)c3)CC2)C1
InChIInChI=1S/C14H19FN2O3S/c15-12-7-13(9-16-8-12)20-6-5-17-3-1-14(2-4-17)10-21(18,19)11-14/h7-9H,1-6,10-11H2
InChIKeyHMNMYEFDBDYJTJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.11
Rot. Bonds4

About 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 168907520) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID168907520
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESO=S1(=O)CC2(CCN(CCOc3cncc(F)c3)CC2)C1
InChIInChI=1S/C14H19FN2O3S/c15-12-7-13(9-16-8-12)20-6-5-17-3-1-14(2-4-17)10-21(18,19)11-14/h7-9H,1-6,10-11H2
InChIKeyHMNMYEFDBDYJTJ-UHFFFAOYSA-N
XLogP1.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 168907520) is 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is O=S1(=O)CC2(CCN(CCOc3cncc(F)c3)CC2)C1.
What is the InChIKey of 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is HMNMYEFDBDYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-12-7-13(9-16-8-12)20-6-5-17-3-1-14(2-4-17)10-21(18,19)11-14/h7-9H,1-6,10-11H2.
What are the key properties of 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 314.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 168907520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).