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

C14H22F3NS — CID 116617710

IUPACN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)SCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C14H22F3NS/c15-14(16,17)19-6-5-13(9-18-12-3-4-12)8-10-1-2-11(13)7-10/h10-12,18H,1-9H2
InChIKeyFZGTZNQOBWFDRI-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.19
Rot. Bonds6

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

N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 116617710) has the molecular formula C14H22F3NS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID116617710
Molecular FormulaC14H22F3NS
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC NameN-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)SCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C14H22F3NS/c15-14(16,17)19-6-5-13(9-18-12-3-4-12)8-10-1-2-11(13)7-10/h10-12,18H,1-9H2
InChIKeyFZGTZNQOBWFDRI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine 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-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 116617710) is N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is FC(F)(F)SCCC1(CNC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is FZGTZNQOBWFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NS/c15-14(16,17)19-6-5-13(9-18-12-3-4-12)8-10-1-2-11(13)7-10/h10-12,18H,1-9H2.
What are the key properties of N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 293.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 116617710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).