2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane

C13H19NOS — CID 66226828

IUPAC2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane
SMILESCOCc1ccccc1C1NCC(C)CS1
InChIInChI=1S/C13H19NOS/c1-10-7-14-13(16-9-10)12-6-4-3-5-11(12)8-15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyANZZLPWOVAIYHW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane

2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane (PubChem CID 66226828) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane
PubChem CID66226828
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane
SMILESCOCc1ccccc1C1NCC(C)CS1
InChIInChI=1S/C13H19NOS/c1-10-7-14-13(16-9-10)12-6-4-3-5-11(12)8-15-2/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyANZZLPWOVAIYHW-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane (CID 66226828) is 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane is COCc1ccccc1C1NCC(C)CS1.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane?
The InChIKey is ANZZLPWOVAIYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-7-14-13(16-9-10)12-6-4-3-5-11(12)8-15-2/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane?
2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane has a molecular weight of 237.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-5-methyl-1,3-thiazinane is sourced from PubChem (CID 66226828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).