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'}

Analyze 4-ethyl-4-methyl-N-(pyridin-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

Related Compounds

4-ethyl-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-imine
CID 136756991
N-[(3-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757213
4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
CID 136757201
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135989212
4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136703330
3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]-N-propylpropanamide
CID 136987649
4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
CID 136757099
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
2-methyl-2-(pyridin-2-ylmethyl)azepane
CID 79118895
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
4-ethyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757143
3-ethyl-3,7-dimethyl-1-(pyridin-2-ylmethyl)-1,4-diazepane
CID 64871240

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).