8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

C19H22N2O3S — CID 121186224

IUPAC8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)c1
InChIInChI=1S/C19H22N2O3S/c1-14-4-2-6-19(10-14)25(22,23)21-15-7-8-16(21)12-18(11-15)24-17-5-3-9-20-13-17/h2-6,9-10,13,15-16,18H,7-8,11-12H2,1H3
InChIKeyLVYLINRUTLJBQH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds4

About 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186224) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186224
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)c1
InChIInChI=1S/C19H22N2O3S/c1-14-4-2-6-19(10-14)25(22,23)21-15-7-8-16(21)12-18(11-15)24-17-5-3-9-20-13-17/h2-6,9-10,13,15-16,18H,7-8,11-12H2,1H3
InChIKeyLVYLINRUTLJBQH-UHFFFAOYSA-N
XLogP3.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186274
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
8-(5-chloro-2-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186250
2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
CID 121186296
8-(4-ethoxy-3-fluorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186259
(1S,5S)-8-(2-chlorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 129357632
2-(3-methylphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185876
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (CID 121186224) is 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is Cc1cccc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)c1.
What is the InChIKey of 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is LVYLINRUTLJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-4-2-6-19(10-14)25(22,23)21-15-7-8-16(21)12-18(11-15)24-17-5-3-9-20-13-17/h2-6,9-10,13,15-16,18H,7-8,11-12H2,1H3.
What are the key properties of 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 358.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).