N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine

C13H22F3NS — CID 116617719

IUPACN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)SCCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C13H22F3NS/c14-13(15,16)18-9-8-12(6-2-1-3-7-12)10-17-11-4-5-11/h11,17H,1-10H2
InChIKeyXRAIKCPNQSNMBM-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.33
Rot. Bonds6

About N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 116617719) has the molecular formula C13H22F3NS and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID116617719
Molecular FormulaC13H22F3NS
Molecular Weight281.39 g/mol
Exact Mass281.14
IUPAC NameN-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine
SMILESFC(F)(F)SCCC1(CNC2CC2)CCCCC1
InChIInChI=1S/C13H22F3NS/c14-13(15,16)18-9-8-12(6-2-1-3-7-12)10-17-11-4-5-11/h11,17H,1-10H2
InChIKeyXRAIKCPNQSNMBM-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]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-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine (CID 116617719) is N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine is FC(F)(F)SCCC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is XRAIKCPNQSNMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NS/c14-13(15,16)18-9-8-12(6-2-1-3-7-12)10-17-11-4-5-11/h11,17H,1-10H2.
What are the key properties of N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 281.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 116617719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).