1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone

C15H20N2O2S — CID 90616057

IUPAC1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone
SMILESCSC1CC2CCC(C1)N2C(=O)COc1cccnc1
InChIInChI=1S/C15H20N2O2S/c1-20-14-7-11-4-5-12(8-14)17(11)15(18)10-19-13-3-2-6-16-9-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3
InChIKeyABKBKJGTKPKCHU-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone

1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone (PubChem CID 90616057) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone
PubChem CID90616057
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone
SMILESCSC1CC2CCC(C1)N2C(=O)COc1cccnc1
InChIInChI=1S/C15H20N2O2S/c1-20-14-7-11-4-5-12(8-14)17(11)15(18)10-19-13-3-2-6-16-9-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3
InChIKeyABKBKJGTKPKCHU-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone with MolForge

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Related Compounds

1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-phenoxyethanone
CID 90615849
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
2-(4-ethoxyphenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90615882
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185912
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
CID 120965444
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
2-(3-methylphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185876
3-(4-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121185911

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone (CID 90616057) is 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone is CSC1CC2CCC(C1)N2C(=O)COc1cccnc1.
What is the InChIKey of 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone?
The InChIKey is ABKBKJGTKPKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-14-7-11-4-5-12(8-14)17(11)15(18)10-19-13-3-2-6-16-9-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3.
What are the key properties of 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone?
1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone has a molecular weight of 292.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 90616057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).