4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane

C11H19NO2S — CID 154841529

IUPAC4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
SMILESCS(=O)(=O)N1CC2C3CCC(CC3)C2C1
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-6-10-8-2-3-9(5-4-8)11(10)7-12/h8-11H,2-7H2,1H3
InChIKeyXYMWPOCGPWWAOC-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.31
Rot. Bonds1

About 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane

4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane (PubChem CID 154841529) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane.

Molecular Properties

Compound Name4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
PubChem CID154841529
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
SMILESCS(=O)(=O)N1CC2C3CCC(CC3)C2C1
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-6-10-8-2-3-9(5-4-8)11(10)7-12/h8-11H,2-7H2,1H3
InChIKeyXYMWPOCGPWWAOC-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane 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

3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146
3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370740
(1S)-1-(1-methylsulfonylazetidin-3-yl)ethanamine
CID 129407794
3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
CID 130479813
1-methylsulfonyl-N-propan-2-ylazetidin-3-amine
CID 130416289
1-methylsulfonyl-3-propan-2-yloxyazetidine
CID 121261769
8-(2-methylbutan-2-yl)-3-methylsulfonyl-3-azabicyclo[3.2.1]octane
CID 167170552
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonyl-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513001
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 155736359
2-methyl-N-(1-methylsulfonylazetidin-3-yl)propanamide
CID 70852288

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane?
The IUPAC name of 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane (CID 154841529) is 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane.
What is the SMILES notation for 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane?
The canonical SMILES for 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane is CS(=O)(=O)N1CC2C3CCC(CC3)C2C1.
What is the InChIKey of 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane?
The InChIKey is XYMWPOCGPWWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-15(13,14)12-6-10-8-2-3-9(5-4-8)11(10)7-12/h8-11H,2-7H2,1H3.
What are the key properties of 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane?
4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane has a molecular weight of 229.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 154841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).