(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C19H20N2O2S — CID 131677755

IUPAC(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCc1cccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)c1
InChIInChI=1S/C19H20N2O2S/c1-14-4-2-5-15(8-14)18(22)21-12-19(13-21)9-17(11-24-19)23-16-6-3-7-20-10-16/h2-8,10,17H,9,11-13H2,1H3
InChIKeyFWBOFVPPJZBVSB-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.17
Rot. Bonds3

About (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131677755) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID131677755
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESCc1cccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)c1
InChIInChI=1S/C19H20N2O2S/c1-14-4-2-5-15(8-14)18(22)21-12-19(13-21)9-17(11-24-19)23-16-6-3-7-20-10-16/h2-8,10,17H,9,11-13H2,1H3
InChIKeyFWBOFVPPJZBVSB-UHFFFAOYSA-N
XLogP3.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
(3-chlorophenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860663
(6-methyl-2-pyridinyl)-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124814780
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 133142855
(2,5-dimethylfuran-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131648810
(1-methylpyrazol-3-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131663043
(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-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131677755) is (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is Cc1cccc(C(=O)N2CC3(CC(Oc4cccnc4)CS3)C2)c1.
What is the InChIKey of (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is FWBOFVPPJZBVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-4-2-5-15(8-14)18(22)21-12-19(13-21)9-17(11-24-19)23-16-6-3-7-20-10-16/h2-8,10,17H,9,11-13H2,1H3.
What are the key properties of (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
(3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 340.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131677755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).