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

C13H26N2S2 — CID 136723694

IUPAC4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
SMILESCSCCCCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H26N2S2/c1-11-10-12(2)17-13(15-11)14-8-6-4-5-7-9-16-3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOHPUAOCDAQRHPI-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.77
Rot. Bonds7

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

4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine (PubChem CID 136723694) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
PubChem CID136723694
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
SMILESCSCCCCCC/N=C1/NC(C)CC(C)S1
InChIInChI=1S/C13H26N2S2/c1-11-10-12(2)17-13(15-11)14-8-6-4-5-7-9-16-3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOHPUAOCDAQRHPI-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
CID 136896889
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine (CID 136723694) is 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine is CSCCCCCC/N=C1/NC(C)CC(C)S1.
What is the InChIKey of 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine?
The InChIKey is OHPUAOCDAQRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-11-10-12(2)17-13(15-11)14-8-6-4-5-7-9-16-3/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine has a molecular weight of 274.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).