4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine

C13H24N2S2 — CID 136757314

IUPAC4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC2CCCCS2)N1
InChIInChI=1S/C13H24N2S2/c1-3-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyDJVCNEAAIMTYIJ-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.52
Rot. Bonds3

About 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine (PubChem CID 136757314) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
PubChem CID136757314
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CC2CCCCS2)N1
InChIInChI=1S/C13H24N2S2/c1-3-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16-11/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyDJVCNEAAIMTYIJ-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-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-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine (CID 136757314) is 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CC2CCCCS2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine?
The InChIKey is DJVCNEAAIMTYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-3-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16-11/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine has a molecular weight of 272.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).