3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane

C10H18FNO2S — CID 112564480

IUPAC3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)CCC1(F)CC2CCC(C1)N2
InChIInChI=1S/C10H18FNO2S/c1-15(13,14)5-4-10(11)6-8-2-3-9(7-10)12-8/h8-9,12H,2-7H2,1H3
InChIKeyIVDVSWFJUZTWBH-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.04
Rot. Bonds3

About 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564480) has the molecular formula C10H18FNO2S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane
PubChem CID112564480
Molecular FormulaC10H18FNO2S
Molecular Weight235.32 g/mol
Exact Mass235.10
IUPAC Name3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane
SMILESCS(=O)(=O)CCC1(F)CC2CCC(C1)N2
InChIInChI=1S/C10H18FNO2S/c1-15(13,14)5-4-10(11)6-8-2-3-9(7-10)12-8/h8-9,12H,2-7H2,1H3
InChIKeyIVDVSWFJUZTWBH-UHFFFAOYSA-N
XLogP1.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane (CID 112564480) is 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane is CS(=O)(=O)CCC1(F)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is IVDVSWFJUZTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2S/c1-15(13,14)5-4-10(11)6-8-2-3-9(7-10)12-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 235.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylsulfonylethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).