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

C11H20F3NOS — CID 113362653

IUPAC2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCCCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NOS/c1-2-3-10-8-9(4-6-16-10)15-5-7-17-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXAEAGCSTZMFZTL-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.18
Rot. Bonds6

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

2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (PubChem CID 113362653) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
PubChem CID113362653
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine
SMILESCCCC1CC(NCCSC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NOS/c1-2-3-10-8-9(4-6-16-10)15-5-7-17-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyXAEAGCSTZMFZTL-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propyl-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-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine (CID 113362653) is 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is CCCC1CC(NCCSC(F)(F)F)CCO1.
What is the InChIKey of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is XAEAGCSTZMFZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-2-3-10-8-9(4-6-16-10)15-5-7-17-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine?
2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 271.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 113362653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).