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

C13H24N2OS — CID 136723653

IUPAC4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2(C)CCOCC2)NC1C
InChIInChI=1S/C13H24N2OS/c1-10-8-17-12(15-11(10)2)14-9-13(3)4-6-16-7-5-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyAETRTVREVGHYOC-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.52
Rot. Bonds2

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

4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136723653) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136723653
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2(C)CCOCC2)NC1C
InChIInChI=1S/C13H24N2OS/c1-10-8-17-12(15-11(10)2)14-9-13(3)4-6-16-7-5-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyAETRTVREVGHYOC-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136961744
4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136852292
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137004943
N-[(1-methylcyclopentyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993516
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136948867
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136993619
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948835

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine (CID 136723653) is 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine is CC1CS/C(=N\CC2(C)CCOCC2)NC1C.
What is the InChIKey of 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is AETRTVREVGHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-8-17-12(15-11(10)2)14-9-13(3)4-6-16-7-5-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine?
4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 256.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).