8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

C19H21FN2O3S — CID 119103744

IUPAC8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(Cc1cccc(F)c1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H21FN2O3S/c20-15-4-1-3-14(9-15)13-26(23,24)22-16-6-7-17(22)11-19(10-16)25-18-5-2-8-21-12-18/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2
InChIKeyRIQKJGYODJKKSN-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.12
Rot. Bonds5

About 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 119103744) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID119103744
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(Cc1cccc(F)c1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H21FN2O3S/c20-15-4-1-3-14(9-15)13-26(23,24)22-16-6-7-17(22)11-19(10-16)25-18-5-2-8-21-12-18/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2
InChIKeyRIQKJGYODJKKSN-UHFFFAOYSA-N
XLogP3.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (CID 119103744) is 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is O=S(=O)(Cc1cccc(F)c1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is RIQKJGYODJKKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-15-4-1-3-14(9-15)13-26(23,24)22-16-6-7-17(22)11-19(10-16)25-18-5-2-8-21-12-18/h1-5,8-9,12,16-17,19H,6-7,10-11,13H2.
What are the key properties of 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 376.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methylsulfonyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 119103744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).