8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane

C15H20N2O3S — CID 121195658

IUPAC8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(C1CC1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C15H20N2O3S/c18-21(19,14-6-7-14)17-11-4-5-12(17)10-13(9-11)20-15-3-1-2-8-16-15/h1-3,8,11-14H,4-7,9-10H2
InChIKeyWLFOKQAUKLWOLH-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.95
Rot. Bonds4

About 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane

8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121195658) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121195658
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(C1CC1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C15H20N2O3S/c18-21(19,14-6-7-14)17-11-4-5-12(17)10-13(9-11)20-15-3-1-2-8-16-15/h1-3,8,11-14H,4-7,9-10H2
InChIKeyWLFOKQAUKLWOLH-UHFFFAOYSA-N
XLogP1.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane (CID 121195658) is 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane is O=S(=O)(C1CC1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is WLFOKQAUKLWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-21(19,14-6-7-14)17-11-4-5-12(17)10-13(9-11)20-15-3-1-2-8-16-15/h1-3,8,11-14H,4-7,9-10H2.
What are the key properties of 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane?
8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 308.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121195658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).