4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine

C8H15FN2S — CID 137243156

IUPAC4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCF)N1
InChIInChI=1S/C8H15FN2S/c1-2-7-3-6-12-8(11-7)10-5-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFCQVJVGRWRAOQU-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.82
Rot. Bonds3

About 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine

4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine (PubChem CID 137243156) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
PubChem CID137243156
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CCF)N1
InChIInChI=1S/C8H15FN2S/c1-2-7-3-6-12-8(11-7)10-5-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyFCQVJVGRWRAOQU-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine (CID 137243156) is 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CCF)N1.
What is the InChIKey of 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
The InChIKey is FCQVJVGRWRAOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2S/c1-2-7-3-6-12-8(11-7)10-5-4-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine?
4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine has a molecular weight of 190.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluoroethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 137243156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).