4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine

C9H15F3N2S2 — CID 136842350

IUPAC4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2S2/c1-2-7-3-5-15-8(14-7)13-4-6-16-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyMWIAXJLNOBYNJQ-UHFFFAOYSA-N
MW272.36 g/mol
LogP3.10
Rot. Bonds4

About 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine

4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine (PubChem CID 136842350) has the molecular formula C9H15F3N2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine
PubChem CID136842350
Molecular FormulaC9H15F3N2S2
Molecular Weight272.36 g/mol
Exact Mass272.06
IUPAC Name4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2S2/c1-2-7-3-5-15-8(14-7)13-4-6-16-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyMWIAXJLNOBYNJQ-UHFFFAOYSA-N
XLogP3.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine 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 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine (CID 136842350) is 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CCSC(F)(F)F)N1.
What is the InChIKey of 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is MWIAXJLNOBYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S2/c1-2-7-3-5-15-8(14-7)13-4-6-16-9(10,11)12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 272.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136842350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).