N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide

C9H15F3N2O2S — CID 61232025

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c1-14(17(15,16)9(10,11)12)8-4-6-2-3-7(5-8)13-6/h6-8,13H,2-5H2,1H3
InChIKeyJLRORSCKWSXGIJ-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.05
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 61232025) has the molecular formula C9H15F3N2O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID61232025
Molecular FormulaC9H15F3N2O2S
Molecular Weight272.29 g/mol
Exact Mass272.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2S/c1-14(17(15,16)9(10,11)12)8-4-6-2-3-7(5-8)13-6/h6-8,13H,2-5H2,1H3
InChIKeyJLRORSCKWSXGIJ-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-(1-piperidin-2-ylethyl)methanesulfonamide
CID 20571268
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234616
N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 70821116
1-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 126622745
(1R,5S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 177909597
(2R,3S)-2-fluoro-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 178429972
1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 43200307
1,1-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 43200309
N-(Piperidin-4-yl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 43602820
1,1,1-trifluoro-N-methyl-N-piperidin-4-ylmethanesulfonamide
CID 43607024
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43628954

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 61232025) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is JLRORSCKWSXGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2S/c1-14(17(15,16)9(10,11)12)8-4-6-2-3-7(5-8)13-6/h6-8,13H,2-5H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 272.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 61232025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).