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

C19H20N2O2S — CID 124790921

IUPAC2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C19H20N2O2S/c22-18(9-15-5-2-1-3-6-15)21-13-19(14-21)10-17(12-24-19)23-16-7-4-8-20-11-16/h1-8,11,17H,9-10,12-14H2/t17-/m1/s1
InChIKeyFMRMLWOCIAZVIY-QGZVFWFLSA-N
MW340.45 g/mol
LogP2.79
Rot. Bonds4

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

2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 124790921) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID124790921
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1
InChIInChI=1S/C19H20N2O2S/c22-18(9-15-5-2-1-3-6-15)21-13-19(14-21)10-17(12-24-19)23-16-7-4-8-20-11-16/h1-8,11,17H,9-10,12-14H2/t17-/m1/s1
InChIKeyFMRMLWOCIAZVIY-QGZVFWFLSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-1-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124794959
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
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196
2-(3-fluorophenyl)-1-[7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131648004
(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
2-(benzenesulfonyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831362

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 124790921) is 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(Cc1ccccc1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1.
What is the InChIKey of 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is FMRMLWOCIAZVIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(9-15-5-2-1-3-6-15)21-13-19(14-21)10-17(12-24-19)23-16-7-4-8-20-11-16/h1-8,11,17H,9-10,12-14H2/t17-/m1/s1.
What are the key properties of 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 340.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 124790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).