4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine

C14H22N2S2 — CID 136948866

IUPAC4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC(C)(C)c2cccs2)NC1C
InChIInChI=1S/C14H22N2S2/c1-10-8-18-13(16-11(10)2)15-9-14(3,4)12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,16)
InChIKeyYWVMZRNDICKDEQ-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.74
Rot. Bonds3

About 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine

4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136948866) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine
PubChem CID136948866
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC(C)(C)c2cccs2)NC1C
InChIInChI=1S/C14H22N2S2/c1-10-8-18-13(16-11(10)2)15-9-14(3,4)12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,16)
InChIKeyYWVMZRNDICKDEQ-UHFFFAOYSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.74
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

N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4,5-dimethyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazinan-2-imine
CID 137002752
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582818
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
CID 111813467
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine (CID 136948866) is 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine is CC1CS/C(=N\CC(C)(C)c2cccs2)NC1C.
What is the InChIKey of 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is YWVMZRNDICKDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-10-8-18-13(16-11(10)2)15-9-14(3,4)12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 282.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).