N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide

C10H17F3N2O2S — CID 61230580

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-2-15(18(16,17)10(11,12)13)9-5-7-3-4-8(6-9)14-7/h7-9,14H,2-6H2,1H3
InChIKeyDXVPVSZZZUPYPI-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.44
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 61230580) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide
PubChem CID61230580
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-2-15(18(16,17)10(11,12)13)9-5-7-3-4-8(6-9)14-7/h7-9,14H,2-6H2,1H3
InChIKeyDXVPVSZZZUPYPI-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
8-(Trifluoromethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234616
(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)pyrrolidine-1-sulfonamide
CID 43602825
3-Pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 54885571
N-ethyl-1,1-difluoro-N-piperidin-4-ylmethanesulfonamide
CID 60805921
1,1,1-trifluoro-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 60806102
1,1-difluoro-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 60807287

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide (CID 61230580) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide is CCN(C1CC2CCC(C1)N2)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DXVPVSZZZUPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-2-15(18(16,17)10(11,12)13)9-5-7-3-4-8(6-9)14-7/h7-9,14H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.44, 3 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)-N-ethyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 61230580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).