N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H16F3NS — CID 79315178

IUPACN-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCSc1ccccc1)C1CC1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)10-17(11-6-7-11)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyZLVOWBCIUGWMIS-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.81
Rot. Bonds6

About N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 79315178) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID79315178
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCSc1ccccc1)C1CC1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)10-17(11-6-7-11)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyZLVOWBCIUGWMIS-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 79315178) is N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CCSc1ccccc1)C1CC1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is ZLVOWBCIUGWMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)10-17(11-6-7-11)8-9-18-12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 275.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 79315178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).