6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine

C11H19NS — CID 91602588

IUPAC6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
SMILESCCC1=CN=CC(C)(CC(C)C)S1
InChIInChI=1S/C11H19NS/c1-5-10-7-12-8-11(4,13-10)6-9(2)3/h7-9H,5-6H2,1-4H3
InChIKeyOGOOEBWOLICFLP-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.86
Rot. Bonds3

About 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine

6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine (PubChem CID 91602588) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine.

Molecular Properties

Compound Name6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
PubChem CID91602588
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
SMILESCCC1=CN=CC(C)(CC(C)C)S1
InChIInChI=1S/C11H19NS/c1-5-10-7-12-8-11(4,13-10)6-9(2)3/h7-9H,5-6H2,1-4H3
InChIKeyOGOOEBWOLICFLP-UHFFFAOYSA-N
XLogP3.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
2,2-Dimethyl-6-pentan-3-yl-1,4-thiazine
CID 123862947
2-methyl-6-propan-2-yl-2H-1,4-thiazine
CID 132187003
2,2-Dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine
CID 144552425
2-Ethyl-2,6-dimethyl-1,4-thiazine
CID 144581900
CID 145694185
CID 145694185
2-methyl-6-pentan-3-yl-2H-1,4-thiazine
CID 145694186

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine?
The IUPAC name of 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine (CID 91602588) is 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine.
What is the SMILES notation for 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine?
The canonical SMILES for 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine is CCC1=CN=CC(C)(CC(C)C)S1.
What is the InChIKey of 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine?
The InChIKey is OGOOEBWOLICFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-10-7-12-8-11(4,13-10)6-9(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine?
6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine has a molecular weight of 197.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine is sourced from PubChem (CID 91602588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).