4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine

C16H24N2S — CID 136848036

IUPAC4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C16H24N2S/c1-16(2,3)14-10-12-19-15(18-14)17-11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,18)
InChIKeyAIUWWPJHLFPEAF-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.73
Rot. Bonds3

About 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine

4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine (PubChem CID 136848036) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
PubChem CID136848036
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C16H24N2S/c1-16(2,3)14-10-12-19-15(18-14)17-11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,18)
InChIKeyAIUWWPJHLFPEAF-UHFFFAOYSA-N
XLogP3.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.73
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

N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
4-tert-butyl-N-(5-methylhexyl)-1,3-thiazinan-2-imine
CID 136848377
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
N-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746896
4-tert-butyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136848611
4-tert-butyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848441
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
4-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848160
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine (CID 136848036) is 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\CCc2ccccc2)N1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The InChIKey is AIUWWPJHLFPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-16(2,3)14-10-12-19-15(18-14)17-11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine has a molecular weight of 276.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).