2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C19H19FN2O2S — CID 124794959

IUPAC2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(C[C@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C19H19FN2O2S/c20-17-6-2-1-4-14(17)8-18(23)22-12-19(13-22)9-16(11-25-19)24-15-5-3-7-21-10-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyUEOKXORYXHZHON-INIZCTEOSA-N
MW358.44 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone

2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124794959) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124794959
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(C[C@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C19H19FN2O2S/c20-17-6-2-1-4-14(17)8-18(23)22-12-19(13-22)9-16(11-25-19)24-15-5-3-7-21-10-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyUEOKXORYXHZHON-INIZCTEOSA-N
XLogP2.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
3-fluoro-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155859664
2-methylsulfanyl-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155861747
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
2-cyclopentyloxy-1-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155839124
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
(4-fluorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155859569
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196
2-(2-fluorophenyl)-1-[(7S)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124794031
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124794959) is 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(Cc1ccccc1F)N1CC2(C[C@H](Oc3cccnc3)CS2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is UEOKXORYXHZHON-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-17-6-2-1-4-14(17)8-18(23)22-12-19(13-22)9-16(11-25-19)24-15-5-3-7-21-10-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124794959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).