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

C8H13F3N2O2S — CID 61234616

IUPAC8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)13-6-1-2-7(13)4-5(12)3-6/h5-7H,1-4,12H2
InChIKeyMHWHSZXNPHJUNY-UHFFFAOYSA-N
MW258.26 g/mol
LogP0.79
Rot. Bonds1

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

8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61234616) has the molecular formula C8H13F3N2O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61234616
Molecular FormulaC8H13F3N2O2S
Molecular Weight258.26 g/mol
Exact Mass258.06
IUPAC Name8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)13-6-1-2-7(13)4-5(12)3-6/h5-7H,1-4,12H2
InChIKeyMHWHSZXNPHJUNY-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61234616) is 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2S(=O)(=O)C(F)(F)F.
What is the InChIKey of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MHWHSZXNPHJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S/c9-8(10,11)16(14,15)13-6-1-2-7(13)4-5(12)3-6/h5-7H,1-4,12H2.
What are the key properties of 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61234616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).