N-methyl-2-(trifluoromethylsulfanyl)ethanamine

C4H8F3NS — CID 75530285

IUPACN-methyl-2-(trifluoromethylsulfanyl)ethanamine
SMILESCNCCSC(F)(F)F
InChIInChI=1S/C4H8F3NS/c1-8-2-3-9-4(5,6)7/h8H,2-3H2,1H3
InChIKeyGQIPDJSLKNYKRU-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.46
Rot. Bonds3

About N-methyl-2-(trifluoromethylsulfanyl)ethanamine

N-methyl-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 75530285) has the molecular formula C4H8F3NS and a molecular weight of 159.18 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID75530285
Molecular FormulaC4H8F3NS
Molecular Weight159.18 g/mol
Exact Mass159.03
IUPAC NameN-methyl-2-(trifluoromethylsulfanyl)ethanamine
SMILESCNCCSC(F)(F)F
InChIInChI=1S/C4H8F3NS/c1-8-2-3-9-4(5,6)7/h8H,2-3H2,1H3
InChIKeyGQIPDJSLKNYKRU-UHFFFAOYSA-N
XLogP1.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(trifluoromethylsulfanyl)ethanamine (CID 75530285) is N-methyl-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(trifluoromethylsulfanyl)ethanamine is CNCCSC(F)(F)F.
What is the InChIKey of N-methyl-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is GQIPDJSLKNYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NS/c1-8-2-3-9-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-methyl-2-(trifluoromethylsulfanyl)ethanamine?
N-methyl-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 159.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 75530285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).