4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine

C9H18N2S2 — CID 136948828

IUPAC4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
SMILESCSCC/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C9H18N2S2/c1-7-6-13-9(11-8(7)2)10-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyHHNVDBXLFUFBBJ-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.07
Rot. Bonds3

About 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine

4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine (PubChem CID 136948828) has the molecular formula C9H18N2S2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
PubChem CID136948828
Molecular FormulaC9H18N2S2
Molecular Weight218.39 g/mol
Exact Mass218.09
IUPAC Name4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
SMILESCSCC/N=C1/NC(C)C(C)CS1
InChIInChI=1S/C9H18N2S2/c1-7-6-13-9(11-8(7)2)10-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyHHNVDBXLFUFBBJ-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine (CID 136948828) is 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine is CSCC/N=C1/NC(C)C(C)CS1.
What is the InChIKey of 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine?
The InChIKey is HHNVDBXLFUFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S2/c1-7-6-13-9(11-8(7)2)10-4-5-12-3/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine has a molecular weight of 218.39 g/mol, XLogP of 2.07, 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-methylsulfanylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).