2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

C10H18F3NOS — CID 106427274

IUPAC2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NOS/c1-2-9-7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMDIJOCAVLHTILM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.79
Rot. Bonds5

About 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine

2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (PubChem CID 106427274) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
PubChem CID106427274
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NOS/c1-2-9-7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMDIJOCAVLHTILM-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine 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 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (CID 106427274) is 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is CCC1CC(NCCSC(F)(F)F)CCO1.
What is the InChIKey of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is MDIJOCAVLHTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-2-9-7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 106427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).