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

C9H9NO2S — CID 57074015

IUPAC6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
SMILESCOc1ccc2c(c1)C(=O)CNS2
InChIInChI=1S/C9H9NO2S/c1-12-6-2-3-9-7(4-6)8(11)5-10-13-9/h2-4,10H,5H2,1H3
InChIKeyAWWALYCNOKKQHC-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.49
Rot. Bonds1

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

6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one (PubChem CID 57074015) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one.

Molecular Properties

Compound Name6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
PubChem CID57074015
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
SMILESCOc1ccc2c(c1)C(=O)CNS2
InChIInChI=1S/C9H9NO2S/c1-12-6-2-3-9-7(4-6)8(11)5-10-13-9/h2-4,10H,5H2,1H3
InChIKeyAWWALYCNOKKQHC-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 19095507
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
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5,7-dimethoxy-1,2-dihydroindol-3-one
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6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one?
The IUPAC name of 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one (CID 57074015) is 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one.
What is the SMILES notation for 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one?
The canonical SMILES for 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one is COc1ccc2c(c1)C(=O)CNS2.
What is the InChIKey of 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one?
The InChIKey is AWWALYCNOKKQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-12-6-2-3-9-7(4-6)8(11)5-10-13-9/h2-4,10H,5H2,1H3.
What are the key properties of 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one?
6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one has a molecular weight of 195.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one is sourced from PubChem (CID 57074015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).