N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine

C15H28N2OS — CID 136755481

IUPACN-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1(CC)CC(/N=C2/NC(C)CC(C)S2)CCO1
InChIInChI=1S/C15H28N2OS/c1-5-15(6-2)10-13(7-8-18-15)17-14-16-11(3)9-12(4)19-14/h11-13H,5-10H2,1-4H3,(H,16,17)
InChIKeySTYLWZAYDIMRIJ-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.58
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755481) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755481
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCCC1(CC)CC(/N=C2/NC(C)CC(C)S2)CCO1
InChIInChI=1S/C15H28N2OS/c1-5-15(6-2)10-13(7-8-18-15)17-14-16-11(3)9-12(4)19-14/h11-13H,5-10H2,1-4H3,(H,16,17)
InChIKeySTYLWZAYDIMRIJ-UHFFFAOYSA-N
XLogP3.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.58
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 N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755481) is N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine is CCC1(CC)CC(/N=C2/NC(C)CC(C)S2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is STYLWZAYDIMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-15(6-2)10-13(7-8-18-15)17-14-16-11(3)9-12(4)19-14/h11-13H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 284.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).