3-methylsulfonyl-8-azabicyclo[3.2.1]octane

C8H15NO2S — CID 71778260

IUPAC3-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C8H15NO2S/c1-12(10,11)8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3
InChIKeyUSSLFBOSDUOAFD-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.31
Rot. Bonds1

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

3-methylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 71778260) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-methylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID71778260
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name3-methylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C8H15NO2S/c1-12(10,11)8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3
InChIKeyUSSLFBOSDUOAFD-UHFFFAOYSA-N
XLogP0.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methylsulfonyl-8-azabicyclo[3.2.1]octane (CID 71778260) is 3-methylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methylsulfonyl-8-azabicyclo[3.2.1]octane is CS(=O)(=O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-methylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is USSLFBOSDUOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3.
What are the key properties of 3-methylsulfonyl-8-azabicyclo[3.2.1]octane?
3-methylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71778260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).