7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one

C12H11NO3S — CID 86343850

IUPAC7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one
SMILESCOc1ccc2c(c1)SC1=C(COCC1=O)N2
InChIInChI=1S/C12H11NO3S/c1-15-7-2-3-8-11(4-7)17-12-9(13-8)5-16-6-10(12)14/h2-4,13H,5-6H2,1H3
InChIKeyYVDWYYXDYCOAPJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.02
Rot. Bonds1

About 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one

7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one (PubChem CID 86343850) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one.

Molecular Properties

Compound Name7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one
PubChem CID86343850
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one
SMILESCOc1ccc2c(c1)SC1=C(COCC1=O)N2
InChIInChI=1S/C12H11NO3S/c1-15-7-2-3-8-11(4-7)17-12-9(13-8)5-16-6-10(12)14/h2-4,13H,5-6H2,1H3
InChIKeyYVDWYYXDYCOAPJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
3-methoxy-7-methyl-10H-phenothiazine
CID 118537045
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183
3,3-diethyl-8-methoxy-2,5-dihydro-1,5-benzothiazepin-4-one
CID 146268788
7-fluoro-2-methoxy-10H-phenothiazine
CID 13153678
3-butyl-3-ethyl-8-methoxy-2,5-dihydro-1,5-benzothiazepin-4-one
CID 19599377
[4-[(Z)-(7-methoxy-3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl] 2-nitroacetate
CID 71488741
6-methoxy-2,3-dihydro-1,2,3-benzothiadiazole
CID 22420669
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
2,8-dimethoxythianthrene
CID 71400378
8-ethyl-3-methoxy-12H-benzo[b]phenothiazine
CID 139221802
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 66651136

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one?
The IUPAC name of 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one (CID 86343850) is 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one.
What is the SMILES notation for 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one?
The canonical SMILES for 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one is COc1ccc2c(c1)SC1=C(COCC1=O)N2.
What is the InChIKey of 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one?
The InChIKey is YVDWYYXDYCOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-15-7-2-3-8-11(4-7)17-12-9(13-8)5-16-6-10(12)14/h2-4,13H,5-6H2,1H3.
What are the key properties of 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one?
7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one has a molecular weight of 249.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,10-dihydropyrano[4,3-b][1,4]benzothiazin-4-one is sourced from PubChem (CID 86343850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).