3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane

C7H13NO3S — CID 66370740

IUPAC3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C7H13NO3S/c1-12(9,10)8-4-6-2-3-7(5-8)11-6/h6-7H,2-5H2,1H3
InChIKeyZLZORJYPVPVGFP-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.19
Rot. Bonds1

About 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane

3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370740) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370740
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C7H13NO3S/c1-12(9,10)8-4-6-2-3-7(5-8)11-6/h6-7H,2-5H2,1H3
InChIKeyZLZORJYPVPVGFP-UHFFFAOYSA-N
XLogP-0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-8-oxa-3-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

3-(chloromethylsulfonyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369919
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethanamine
CID 66371474
4-methylsulfonyl-4-azatricyclo[5.2.2.02,6]undecane
CID 154841529
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)acetic acid
CID 66391152
3-methylsulfonyl-3-azabicyclo[3.3.1]nonane
CID 130479813
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)propan-1-amine
CID 66369759
(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane
CID 98168048
3-methylsulfonyl-3-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 137394146
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66393238
3-(4-bromo-3-methylphenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369738

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370740) is 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane is CS(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is ZLZORJYPVPVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(9,10)8-4-6-2-3-7(5-8)11-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 191.25 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).