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

C15H28N2S — CID 136757099

IUPAC4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1CCC(/N=C2/NC(C)(CC)CCS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-6-8-13(9-7-12)16-14-17-15(3,5-2)10-11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWGGMQMKXIOTMHQ-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.21
Rot. Bonds3

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

4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136757099) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
PubChem CID136757099
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1CCC(/N=C2/NC(C)(CC)CCS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-6-8-13(9-7-12)16-14-17-15(3,5-2)10-11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWGGMQMKXIOTMHQ-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-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-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine (CID 136757099) is 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine is CCC1CCC(/N=C2/NC(C)(CC)CCS2)CC1.
What is the InChIKey of 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is WGGMQMKXIOTMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-12-6-8-13(9-7-12)16-14-17-15(3,5-2)10-11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine?
4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).