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

C13H19N3S — CID 136987620

IUPAC4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2ccccn2)N1
InChIInChI=1S/C13H19N3S/c1-3-13(2)7-9-17-12(16-13)15-10-11-6-4-5-8-14-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyYXUXPFDOKJTMNG-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.83
Rot. Bonds3

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

4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine (PubChem CID 136987620) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
PubChem CID136987620
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\Cc2ccccn2)N1
InChIInChI=1S/C13H19N3S/c1-3-13(2)7-9-17-12(16-13)15-10-11-6-4-5-8-14-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16)
InChIKeyYXUXPFDOKJTMNG-UHFFFAOYSA-N
XLogP2.83
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine (CID 136987620) is 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\Cc2ccccn2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine?
The InChIKey is YXUXPFDOKJTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-13(2)7-9-17-12(16-13)15-10-11-6-4-5-8-14-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine has a molecular weight of 249.38 g/mol, XLogP of 2.83, 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-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136987620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).