N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine

C7H8F3NS2 — CID 116615644

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine
SMILESFC(F)(F)SCCNc1ccsc1
InChIInChI=1S/C7H8F3NS2/c8-7(9,10)13-4-2-11-6-1-3-12-5-6/h1,3,5,11H,2,4H2
InChIKeyYLXADEKLLFQFGS-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.41
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine

N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine (PubChem CID 116615644) has the molecular formula C7H8F3NS2 and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine
PubChem CID116615644
Molecular FormulaC7H8F3NS2
Molecular Weight227.28 g/mol
Exact Mass227.01
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine
SMILESFC(F)(F)SCCNc1ccsc1
InChIInChI=1S/C7H8F3NS2/c8-7(9,10)13-4-2-11-6-1-3-12-5-6/h1,3,5,11H,2,4H2
InChIKeyYLXADEKLLFQFGS-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine (CID 116615644) is N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine is FC(F)(F)SCCNc1ccsc1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine?
The InChIKey is YLXADEKLLFQFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS2/c8-7(9,10)13-4-2-11-6-1-3-12-5-6/h1,3,5,11H,2,4H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine has a molecular weight of 227.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]thiophen-3-amine is sourced from PubChem (CID 116615644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).