4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine

C12H22N2S — CID 136879360

IUPAC4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2(C)CCC2)NC1C
InChIInChI=1S/C12H22N2S/c1-9-7-15-11(14-10(9)2)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyJWKJRTGDFJCTKQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds2

About 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine

4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136879360) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136879360
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2(C)CCC2)NC1C
InChIInChI=1S/C12H22N2S/c1-9-7-15-11(14-10(9)2)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyJWKJRTGDFJCTKQ-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
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

4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136723653
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136961744
N-[(1-methylcyclopentyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993516
4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136852292
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine (CID 136879360) is 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine is CC1CS/C(=N\CC2(C)CCC2)NC1C.
What is the InChIKey of 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is JWKJRTGDFJCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-7-15-11(14-10(9)2)13-8-12(3)5-4-6-12/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136879360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).