2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine

C16H30N2S — CID 139928363

IUPAC2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine
SMILESCCCCCCCCCCCC1=NC(C)=NC(C)S1
InChIInChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-13-16-18-14(2)17-15(3)19-16/h15H,4-13H2,1-3H3
InChIKeyROJRUNOUXSPFOA-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.82
Rot. Bonds10

About 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine

2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine (PubChem CID 139928363) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine.

Molecular Properties

Compound Name2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine
PubChem CID139928363
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine
SMILESCCCCCCCCCCCC1=NC(C)=NC(C)S1
InChIInChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-13-16-18-14(2)17-15(3)19-16/h15H,4-13H2,1-3H3
InChIKeyROJRUNOUXSPFOA-UHFFFAOYSA-N
XLogP5.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
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4,5-dihexyl-3,6-dimethylpyridazine
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(5R,6S,7R,7aR)-2-heptyl-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
CID 101088188
5-methyl-4-octyl-1,3-thiazole
CID 166842414
4-octadecyl-5H-1,3-thiazole-2-thione
CID 21324769
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
2-hexyl-4,4-dimethyl-5H-1,3-thiazole
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4,5-diheptyl-[1,3]thiazolo[4,5-g][1,3]benzothiazole
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine?
The IUPAC name of 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine (CID 139928363) is 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine.
What is the SMILES notation for 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine?
The canonical SMILES for 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine is CCCCCCCCCCCC1=NC(C)=NC(C)S1.
What is the InChIKey of 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine?
The InChIKey is ROJRUNOUXSPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-4-5-6-7-8-9-10-11-12-13-16-18-14(2)17-15(3)19-16/h15H,4-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine?
2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine has a molecular weight of 282.50 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine is sourced from PubChem (CID 139928363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).