10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one

C16H15NO2S — CID 143753148

IUPAC10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one
SMILESO=C1COCc2ccccc2Sc2ccccc2CN1
InChIInChI=1S/C16H15NO2S/c18-16-11-19-10-13-6-2-4-8-15(13)20-14-7-3-1-5-12(14)9-17-16/h1-8H,9-11H2,(H,17,18)
InChIKeyMHEIHOZAIKRODY-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.98
Rot. Bonds

About 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one

10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one (PubChem CID 143753148) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one.

Molecular Properties

Compound Name10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one
PubChem CID143753148
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one
SMILESO=C1COCc2ccccc2Sc2ccccc2CN1
InChIInChI=1S/C16H15NO2S/c18-16-11-19-10-13-6-2-4-8-15(13)20-14-7-3-1-5-12(14)9-17-16/h1-8H,9-11H2,(H,17,18)
InChIKeyMHEIHOZAIKRODY-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one?
The IUPAC name of 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one (CID 143753148) is 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one.
What is the SMILES notation for 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one?
The canonical SMILES for 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one is O=C1COCc2ccccc2Sc2ccccc2CN1.
What is the InChIKey of 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one?
The InChIKey is MHEIHOZAIKRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-16-11-19-10-13-6-2-4-8-15(13)20-14-7-3-1-5-12(14)9-17-16/h1-8H,9-11H2,(H,17,18).
What are the key properties of 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one?
10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one has a molecular weight of 285.37 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-2-thia-13-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaen-12-one is sourced from PubChem (CID 143753148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).