2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]

C11H16F3NO2S — CID 162557113

IUPAC2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]
SMILESCC1CC12CC1CCC(C2)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c1-7-4-10(7)5-8-2-3-9(6-10)15(8)18(16,17)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyUGLWCYIZRMCOKO-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.49
Rot. Bonds1

About 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]

2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane] (PubChem CID 162557113) has the molecular formula C11H16F3NO2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane].

Molecular Properties

Compound Name2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]
PubChem CID162557113
Molecular FormulaC11H16F3NO2S
Molecular Weight283.31 g/mol
Exact Mass283.09
IUPAC Name2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]
SMILESCC1CC12CC1CCC(C2)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c1-7-4-10(7)5-8-2-3-9(6-10)15(8)18(16,17)11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyUGLWCYIZRMCOKO-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]?
The IUPAC name of 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane] (CID 162557113) is 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane].
What is the SMILES notation for 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]?
The canonical SMILES for 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane] is CC1CC12CC1CCC(C2)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]?
The InChIKey is UGLWCYIZRMCOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2S/c1-7-4-10(7)5-8-2-3-9(6-10)15(8)18(16,17)11(12,13)14/h7-9H,2-6H2,1H3.
What are the key properties of 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane]?
2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane] has a molecular weight of 283.31 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-8-(trifluoromethylsulfonyl)spiro[8-azabicyclo[3.2.1]octane-3,1'-cyclopropane] is sourced from PubChem (CID 162557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).