N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C11H19F3N2S — CID 106432409

IUPACN-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCSC(F)(F)F
InChIInChI=1S/C11H19F3N2S/c1-15-8-6-9-2-3-10(7-8)16(9)4-5-17-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyCNQSDYFYZRQILD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106432409) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106432409
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC NameN-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCSC(F)(F)F
InChIInChI=1S/C11H19F3N2S/c1-15-8-6-9-2-3-10(7-8)16(9)4-5-17-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyCNQSDYFYZRQILD-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
6,6-difluoro-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 167503267
(1R,5S)-8-propan-2-yl-N-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 177148556
8-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131529
N-methyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230699
N-(2,2-difluoroethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230776
N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231184
N-(2,2-difluoroethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231368
N-ethyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231538
N-(2,2-difluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232226
N-methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738778
N-ethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738779

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 106432409) is N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCSC(F)(F)F.
What is the InChIKey of N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CNQSDYFYZRQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c1-15-8-6-9-2-3-10(7-8)16(9)4-5-17-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 268.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-(trifluoromethylsulfanyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106432409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).