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

C11H20N2S — CID 136755277

IUPACN-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2CCC2)N1
InChIInChI=1S/C11H20N2S/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMQPYHEXTFDTQCA-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds2

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

N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136755277) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136755277
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CC2CCC2)N1
InChIInChI=1S/C11H20N2S/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMQPYHEXTFDTQCA-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
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-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-[(1-ethylcyclopentyl)methyl]-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136964295
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252
4,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazinan-2-imine
CID 136755447
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136755277) is N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CC2CCC2)N1.
What is the InChIKey of N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is MQPYHEXTFDTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-6-9(2)14-11(13-8)12-7-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136755277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).