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

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Related Compounds

3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 121195689
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
(1S,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-[[2-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane
CID 54581627
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195431
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104

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).