3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane

C21H26N2O3S — CID 121195689

IUPAC3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)c(S(=O)(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-14-10-15(2)21(16(3)11-14)27(24,25)23-17-7-8-18(23)13-19(12-17)26-20-6-4-5-9-22-20/h4-6,9-11,17-19H,7-8,12-13H2,1-3H3
InChIKeyCLNHMTNRQFXGEI-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.77
Rot. Bonds4

About 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane

3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 121195689) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID121195689
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
SMILESCc1cc(C)c(S(=O)(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-14-10-15(2)21(16(3)11-14)27(24,25)23-17-7-8-18(23)13-19(12-17)26-20-6-4-5-9-22-20/h4-6,9-11,17-19H,7-8,12-13H2,1-3H3
InChIKeyCLNHMTNRQFXGEI-UHFFFAOYSA-N
XLogP3.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-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-cyclopropylsulfonyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane
CID 121195658
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763526
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
N-(4-propan-2-ylphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195601
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane (CID 121195689) is 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane is Cc1cc(C)c(S(=O)(=O)N2C3CCC2CC(Oc2ccccn2)C3)c(C)c1.
What is the InChIKey of 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CLNHMTNRQFXGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-10-15(2)21(16(3)11-14)27(24,25)23-17-7-8-18(23)13-19(12-17)26-20-6-4-5-9-22-20/h4-6,9-11,17-19H,7-8,12-13H2,1-3H3.
What are the key properties of 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 386.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yloxy-8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121195689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).