4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine

C14H26N2OS — CID 136757451

IUPAC4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)C2CCOCC2)N1
InChIInChI=1S/C14H26N2OS/c1-4-14(3)7-10-18-13(16-14)15-11(2)12-5-8-17-9-6-12/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWEXDPEHHAPYOSI-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds3

About 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine (PubChem CID 136757451) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
PubChem CID136757451
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)C2CCOCC2)N1
InChIInChI=1S/C14H26N2OS/c1-4-14(3)7-10-18-13(16-14)15-11(2)12-5-8-17-9-6-12/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyWEXDPEHHAPYOSI-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazinan-2-imine
CID 136756990
4-ethyl-4-methyl-N-pentan-3-yl-1,3-thiazinan-2-imine
CID 136757003
N-(1-cyclopropylethyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984868
N-(1-cyclopropylethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819509
4-ethyl-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757276
4-ethyl-4-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazinan-2-imine
CID 136757364
methyl 2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propanoate
CID 136757113
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
CID 136757233
4-ethyl-N-(4-ethylcyclohexyl)-4-methyl-1,3-thiazinan-2-imine
CID 136757099
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756993
N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757120

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine (CID 136757451) is 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C(C)C2CCOCC2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine?
The InChIKey is WEXDPEHHAPYOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-14(3)7-10-18-13(16-14)15-11(2)12-5-8-17-9-6-12/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 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-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).