2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane

C12H17NOS — CID 66224677

IUPAC2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
SMILESCOc1ccccc1C1NCCC(C)S1
InChIInChI=1S/C12H17NOS/c1-9-7-8-13-12(15-9)10-5-3-4-6-11(10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyAUAXCQKEHHWFGT-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane

2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane (PubChem CID 66224677) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
PubChem CID66224677
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
SMILESCOc1ccccc1C1NCCC(C)S1
InChIInChI=1S/C12H17NOS/c1-9-7-8-13-12(15-9)10-5-3-4-6-11(10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyAUAXCQKEHHWFGT-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane?
The IUPAC name of 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane (CID 66224677) is 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane?
The canonical SMILES for 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane is COc1ccccc1C1NCCC(C)S1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane?
The InChIKey is AUAXCQKEHHWFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-7-8-13-12(15-9)10-5-3-4-6-11(10)14-2/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane?
2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane has a molecular weight of 223.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane is sourced from PubChem (CID 66224677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).