8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane

C7H11F3N2O2S — CID 139490345

IUPAC8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
SMILESO=S(=O)(N1C2CCC1CNC2)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-5-1-2-6(12)4-11-3-5/h5-6,11H,1-4H2
InChIKeyJLWTYDBJDUJVTC-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.27
Rot. Bonds1

About 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane

8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 139490345) has the molecular formula C7H11F3N2O2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID139490345
Molecular FormulaC7H11F3N2O2S
Molecular Weight244.24 g/mol
Exact Mass244.05
IUPAC Name8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane
SMILESO=S(=O)(N1C2CCC1CNC2)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-5-1-2-6(12)4-11-3-5/h5-6,11H,1-4H2
InChIKeyJLWTYDBJDUJVTC-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane (CID 139490345) is 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane is O=S(=O)(N1C2CCC1CNC2)C(F)(F)F.
What is the InChIKey of 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is JLWTYDBJDUJVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-5-1-2-6(12)4-11-3-5/h5-6,11H,1-4H2.
What are the key properties of 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane?
8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 244.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethylsulfonyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 139490345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).