Basic information
- Standard SMILES
CN1c2ccc(C#CCOC3CCCCO3)cc2C(=O)CS1(=O)=O- InChIKey
OAVXHPSLLFYCMQ-UHFFFAOYSA-N- Molecular formula
- C17H19NO5S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.09839388
Names & identifiers
- Preferred name
- 1-Methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl)-1H-2,1-benzothiazin-4(3H)-one 2,2-Dioxide
- IUPAC
- 1-methyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one
Names & synonyms
SCHEMBL6285009OAVXHPSLLFYCMQ-UHFFFAOYSA-N1-Methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl)-1H-2,1-benzothiazin -4(3H)-one 2,2-Dioxide1-Methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl)-1H-2,1-benzothiazin-4(3 h)-one 2,2-Dioxide1-Methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl)-1H-2,1-benzothiazin-4(3H)-one 2,2-Dioxide1-methyl-6-(3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl)-1H-2,1-benzothiazin4(3H)-one 2,2-dioxide
Database identifiers
- PubChem CID
- 22397171
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 641
Related reactions
5 records
Compound notes
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