9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane

C8H15NO3S — CID 58360234

IUPAC9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCS(=O)(=O)N1C2CCCC1COC2
InChIInChI=1S/C8H15NO3S/c1-13(10,11)9-7-3-2-4-8(9)6-12-5-7/h7-8H,2-6H2,1H3
InChIKeyOGMYFPYVVKWFIX-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.20
Rot. Bonds1

About 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane

9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 58360234) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID58360234
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCS(=O)(=O)N1C2CCCC1COC2
InChIInChI=1S/C8H15NO3S/c1-13(10,11)9-7-3-2-4-8(9)6-12-5-7/h7-8H,2-6H2,1H3
InChIKeyOGMYFPYVVKWFIX-UHFFFAOYSA-N
XLogP0.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane (CID 58360234) is 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane is CS(=O)(=O)N1C2CCCC1COC2.
What is the InChIKey of 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is OGMYFPYVVKWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(10,11)9-7-3-2-4-8(9)6-12-5-7/h7-8H,2-6H2,1H3.
What are the key properties of 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane?
9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 205.28 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 58360234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).