2-ethyl-2,6-dimethyl-1,4-thiazine

C8H13NS — CID 144581900

IUPAC2-ethyl-2,6-dimethyl-1,4-thiazine
SMILESCCC1(C)C=NC=C(C)S1
InChIInChI=1S/C8H13NS/c1-4-8(3)6-9-5-7(2)10-8/h5-6H,4H2,1-3H3
InChIKeySHAVMULPUREFHE-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.83
Rot. Bonds1

About 2-ethyl-2,6-dimethyl-1,4-thiazine

2-ethyl-2,6-dimethyl-1,4-thiazine (PubChem CID 144581900) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-1,4-thiazine.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-1,4-thiazine
PubChem CID144581900
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-ethyl-2,6-dimethyl-1,4-thiazine
SMILESCCC1(C)C=NC=C(C)S1
InChIInChI=1S/C8H13NS/c1-4-8(3)6-9-5-7(2)10-8/h5-6H,4H2,1-3H3
InChIKeySHAVMULPUREFHE-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
CID 91602588
2,2,6-Trimethyl-1,4-thiazine
CID 123348530
2,2-Dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine
CID 142912442

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-1,4-thiazine?
The IUPAC name of 2-ethyl-2,6-dimethyl-1,4-thiazine (CID 144581900) is 2-ethyl-2,6-dimethyl-1,4-thiazine.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-1,4-thiazine?
The canonical SMILES for 2-ethyl-2,6-dimethyl-1,4-thiazine is CCC1(C)C=NC=C(C)S1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-1,4-thiazine?
The InChIKey is SHAVMULPUREFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8(3)6-9-5-7(2)10-8/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,6-dimethyl-1,4-thiazine?
2-ethyl-2,6-dimethyl-1,4-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-1,4-thiazine is sourced from PubChem (CID 144581900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).