2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane

C13H19NO2S — CID 66231747

IUPAC2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane
SMILESCOc1cccc(C2NC(C)CCS2)c1OC
InChIInChI=1S/C13H19NO2S/c1-9-7-8-17-13(14-9)10-5-4-6-11(15-2)12(10)16-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyOCQBLCMAIPGKCW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane

2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane (PubChem CID 66231747) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane
PubChem CID66231747
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane
SMILESCOc1cccc(C2NC(C)CCS2)c1OC
InChIInChI=1S/C13H19NO2S/c1-9-7-8-17-13(14-9)10-5-4-6-11(15-2)12(10)16-3/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyOCQBLCMAIPGKCW-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane (CID 66231747) is 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane is COc1cccc(C2NC(C)CCS2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane?
The InChIKey is OCQBLCMAIPGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-7-8-17-13(14-9)10-5-4-6-11(15-2)12(10)16-3/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane?
2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane has a molecular weight of 253.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 66231747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).