N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine

C10H18F3NS — CID 116617617

IUPACN-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
SMILESCCC(CCSC(F)(F)F)CNC1CC1
InChIInChI=1S/C10H18F3NS/c1-2-8(7-14-9-3-4-9)5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVKLJDPVVHAYWJD-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.41
Rot. Bonds7

About N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine

N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine (PubChem CID 116617617) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
PubChem CID116617617
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
SMILESCCC(CCSC(F)(F)F)CNC1CC1
InChIInChI=1S/C10H18F3NS/c1-2-8(7-14-9-3-4-9)5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVKLJDPVVHAYWJD-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine (CID 116617617) is N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine is CCC(CCSC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
The InChIKey is VKLJDPVVHAYWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-8(7-14-9-3-4-9)5-6-15-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine?
N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine has a molecular weight of 241.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine is sourced from PubChem (CID 116617617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).