1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine

C8H13F3N2O2S — CID 126622745

IUPAC1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(S(=O)(=O)C(F)(F)F)(C1)N2
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)7-2-1-6(13-7)3-5(12)4-7/h5-6,13H,1-4,12H2
InChIKeyFQKIGTNLDVAQIF-UHFFFAOYSA-N
MW258.26 g/mol
LogP0.49
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine

1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 126622745) has the molecular formula C8H13F3N2O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID126622745
Molecular FormulaC8H13F3N2O2S
Molecular Weight258.26 g/mol
Exact Mass258.06
IUPAC Name1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(S(=O)(=O)C(F)(F)F)(C1)N2
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)7-2-1-6(13-7)3-5(12)4-7/h5-6,13H,1-4,12H2
InChIKeyFQKIGTNLDVAQIF-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 126622745) is 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(S(=O)(=O)C(F)(F)F)(C1)N2.
What is the InChIKey of 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FQKIGTNLDVAQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)7-2-1-6(13-7)3-5(12)4-7/h5-6,13H,1-4,12H2.
What are the key properties of 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.26 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 126622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).