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

C16H24N2S — CID 136757233

IUPAC4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)Cc2ccccc2)N1
InChIInChI=1S/C16H24N2S/c1-4-16(3)10-11-19-15(18-16)17-13(2)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,18)
InChIKeyPSWWPBUOWOEZEH-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.87
Rot. Bonds4

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

4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine (PubChem CID 136757233) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
PubChem CID136757233
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\C(C)Cc2ccccc2)N1
InChIInChI=1S/C16H24N2S/c1-4-16(3)10-11-19-15(18-16)17-13(2)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,18)
InChIKeyPSWWPBUOWOEZEH-UHFFFAOYSA-N
XLogP3.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
CID 136757035
4-ethyl-4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazinan-2-imine
CID 136756990
4-ethyl-N-(4-methoxybutan-2-yl)-4-methyl-1,3-thiazinan-2-imine
CID 136757276
4-ethyl-4-methyl-N-pentan-3-yl-1,3-thiazinan-2-imine
CID 136757003
N-[1-(3-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757120
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136756993
N-[(2-chlorophenyl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757022
N-[3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]propyl]-N-methylaniline
CID 136757017
4-ethyl-4-methyl-N-[1-(oxan-4-yl)ethyl]-1,3-thiazinan-2-imine
CID 136757451
4-ethyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136987620
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
4-ethyl-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazinan-2-imine
CID 136757201

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine (CID 136757233) is 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\C(C)Cc2ccccc2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine?
The InChIKey is PSWWPBUOWOEZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-4-16(3)10-11-19-15(18-16)17-13(2)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine has a molecular weight of 276.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).