6-methoxy-4H-1,2-benzothiazin-3-one

C9H9NO2S — CID 67643031

IUPAC6-methoxy-4H-1,2-benzothiazin-3-one
SMILESCOc1ccc2c(c1)CC(=O)NS2
InChIInChI=1S/C9H9NO2S/c1-12-7-2-3-8-6(4-7)5-9(11)10-13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyDRPIKWZRJONONB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.37
Rot. Bonds1

About 6-methoxy-4H-1,2-benzothiazin-3-one

6-methoxy-4H-1,2-benzothiazin-3-one (PubChem CID 67643031) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-methoxy-4H-1,2-benzothiazin-3-one.

Molecular Properties

Compound Name6-methoxy-4H-1,2-benzothiazin-3-one
PubChem CID67643031
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-methoxy-4H-1,2-benzothiazin-3-one
SMILESCOc1ccc2c(c1)CC(=O)NS2
InChIInChI=1S/C9H9NO2S/c1-12-7-2-3-8-6(4-7)5-9(11)10-13-8/h2-4H,5H2,1H3,(H,10,11)
InChIKeyDRPIKWZRJONONB-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4H-1,2-benzothiazin-3-one?
The IUPAC name of 6-methoxy-4H-1,2-benzothiazin-3-one (CID 67643031) is 6-methoxy-4H-1,2-benzothiazin-3-one.
What is the SMILES notation for 6-methoxy-4H-1,2-benzothiazin-3-one?
The canonical SMILES for 6-methoxy-4H-1,2-benzothiazin-3-one is COc1ccc2c(c1)CC(=O)NS2.
What is the InChIKey of 6-methoxy-4H-1,2-benzothiazin-3-one?
The InChIKey is DRPIKWZRJONONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-7-2-3-8-6(4-7)5-9(11)10-13-8/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-methoxy-4H-1,2-benzothiazin-3-one?
6-methoxy-4H-1,2-benzothiazin-3-one has a molecular weight of 195.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4H-1,2-benzothiazin-3-one is sourced from PubChem (CID 67643031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).