9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide

C21H19NO3S — CID 59572427

IUPAC9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C21H19NO3S/c1-13-8-9-16-18(11-13)26(23)19-12-14(2)25-21(19)22(16)17-7-3-5-15-6-4-10-24-20(15)17/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyUYFDGZSOHXHQLL-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.17
Rot. Bonds1

About 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide

9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide (PubChem CID 59572427) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide.

Molecular Properties

Compound Name9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide
PubChem CID59572427
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide
SMILESCc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1cccc2c1OCCC2
InChIInChI=1S/C21H19NO3S/c1-13-8-9-16-18(11-13)26(23)19-12-14(2)25-21(19)22(16)17-7-3-5-15-6-4-10-24-20(15)17/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyUYFDGZSOHXHQLL-UHFFFAOYSA-N
XLogP5.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The IUPAC name of 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide (CID 59572427) is 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide.
What is the SMILES notation for 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The canonical SMILES for 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide is Cc1ccc2c(c1)S(=O)c1cc(C)oc1N2c1cccc2c1OCCC2.
What is the InChIKey of 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide?
The InChIKey is UYFDGZSOHXHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-13-8-9-16-18(11-13)26(23)19-12-14(2)25-21(19)22(16)17-7-3-5-15-6-4-10-24-20(15)17/h3,5,7-9,11-12H,4,6,10H2,1-2H3.
What are the key properties of 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide?
9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide has a molecular weight of 365.45 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethylfuro[3,2-b][1,4]benzothiazine 4-oxide is sourced from PubChem (CID 59572427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).