8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

C13H13NO2S — CID 12593083

IUPAC8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1ccc2cc3n(c(=O)c2c1)CCCS3
InChIInChI=1S/C13H13NO2S/c1-16-10-4-3-9-7-12-14(5-2-6-17-12)13(15)11(9)8-10/h3-4,7-8H,2,5-6H2,1H3
InChIKeyZJSBSQLCRHVYBI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds1

About 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one

8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (PubChem CID 12593083) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
PubChem CID12593083
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SMILESCOc1ccc2cc3n(c(=O)c2c1)CCCS3
InChIInChI=1S/C13H13NO2S/c1-16-10-4-3-9-7-12-14(5-2-6-17-12)13(15)11(9)8-10/h3-4,7-8H,2,5-6H2,1H3
InChIKeyZJSBSQLCRHVYBI-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one (CID 12593083) is 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is COc1ccc2cc3n(c(=O)c2c1)CCCS3.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
The InChIKey is ZJSBSQLCRHVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-10-4-3-9-7-12-14(5-2-6-17-12)13(15)11(9)8-10/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one?
8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one has a molecular weight of 247.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one is sourced from PubChem (CID 12593083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).