8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

C22H22N2O3S — CID 121186274

IUPAC8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C22H22N2O3S/c25-28(26,22-10-7-16-4-1-2-5-17(16)12-22)24-18-8-9-19(24)14-21(13-18)27-20-6-3-11-23-15-20/h1-7,10-12,15,18-19,21H,8-9,13-14H2
InChIKeyAIUJPKSAQZZEEV-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.00
Rot. Bonds4

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

8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186274) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186274
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C22H22N2O3S/c25-28(26,22-10-7-16-4-1-2-5-17(16)12-22)24-18-8-9-19(24)14-21(13-18)27-20-6-3-11-23-15-20/h1-7,10-12,15,18-19,21H,8-9,13-14H2
InChIKeyAIUJPKSAQZZEEV-UHFFFAOYSA-N
XLogP4.00
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-naphthalen-2-ylsulfonyl-3-pyridin-3-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

Related Compounds

8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
(1S,5S)-8-(2-chlorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 129357632
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)-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
(1R,5S)-8-[3-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 59367745
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (CID 121186274) is 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is O=S(=O)(c1ccc2ccccc2c1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is AIUJPKSAQZZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-28(26,22-10-7-16-4-1-2-5-17(16)12-22)24-18-8-9-19(24)14-21(13-18)27-20-6-3-11-23-15-20/h1-7,10-12,15,18-19,21H,8-9,13-14H2.
What are the key properties of 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 394.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).