N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine

C10H20N2OS — CID 136817004

IUPACN-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
SMILESCOC(C)(C)C/N=C1/NC(C)CCS1
InChIInChI=1S/C10H20N2OS/c1-8-5-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyZOEPJLRMRKHZRS-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.88
Rot. Bonds3

About N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine

N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136817004) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
PubChem CID136817004
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
SMILESCOC(C)(C)C/N=C1/NC(C)CCS1
InChIInChI=1S/C10H20N2OS/c1-8-5-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeyZOEPJLRMRKHZRS-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine (CID 136817004) is N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine is COC(C)(C)C/N=C1/NC(C)CCS1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is ZOEPJLRMRKHZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-5-6-14-9(12-8)11-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine?
N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 216.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136817004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).