13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C15H8N2O2S — CID 10858874

IUPAC13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESO=[N+]([O-])c1cnc2sc3cc4ccccc4cc3c2c1
InChIInChI=1S/C15H8N2O2S/c18-17(19)11-7-13-12-5-9-3-1-2-4-10(9)6-14(12)20-15(13)16-8-11/h1-8H
InChIKeyGLFLWZPLVTZBRI-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.51
Rot. Bonds1

About 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 10858874) has the molecular formula C15H8N2O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID10858874
Molecular FormulaC15H8N2O2S
Molecular Weight280.31 g/mol
Exact Mass280.03
IUPAC Name13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESO=[N+]([O-])c1cnc2sc3cc4ccccc4cc3c2c1
InChIInChI=1S/C15H8N2O2S/c18-17(19)11-7-13-12-5-9-3-1-2-4-10(9)6-14(12)20-15(13)16-8-11/h1-8H
InChIKeyGLFLWZPLVTZBRI-UHFFFAOYSA-N
XLogP4.51
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 2863534
5-methyl-3-nitroquinoline
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17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
5-nitro-3-(2-phenylethynyl)pyridin-2-amine
CID 59322901
17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 155155987
3,5-dinitro-2-phenylpyridine
CID 14948543
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CID 76850301
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CID 12754955

Frequently Asked Questions

What is the IUPAC name of 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 10858874) is 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is O=[N+]([O-])c1cnc2sc3cc4ccccc4cc3c2c1.
What is the InChIKey of 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is GLFLWZPLVTZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S/c18-17(19)11-7-13-12-5-9-3-1-2-4-10(9)6-14(12)20-15(13)16-8-11/h1-8H.
What are the key properties of 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 280.31 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 10858874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).