N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine

C12H20F3NS — CID 116617707

IUPACN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C12H20F3NS/c1-16-8-11(4-5-17-12(13,14)15)7-9-2-3-10(11)6-9/h9-10,16H,2-8H2,1H3
InChIKeySSWYQRNFOXGRIH-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine

N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 116617707) has the molecular formula C12H20F3NS and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID116617707
Molecular FormulaC12H20F3NS
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC NameN-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCNCC1(CCSC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C12H20F3NS/c1-16-8-11(4-5-17-12(13,14)15)7-9-2-3-10(11)6-9/h9-10,16H,2-8H2,1H3
InChIKeySSWYQRNFOXGRIH-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine (CID 116617707) is N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is CNCC1(CCSC(F)(F)F)CC2CCC1C2.
What is the InChIKey of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is SSWYQRNFOXGRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NS/c1-16-8-11(4-5-17-12(13,14)15)7-9-2-3-10(11)6-9/h9-10,16H,2-8H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine?
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 267.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 116617707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).