[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite

C18H19FN4S — CID 144891240

IUPAC[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite
SMILESCn1c2ccncc2c2ccc(N3C4CCC3CC(SF)C4)nc21
InChIInChI=1S/C18H19FN4S/c1-22-16-6-7-20-10-15(16)14-4-5-17(21-18(14)22)23-11-2-3-12(23)9-13(8-11)24-19/h4-7,10-13H,2-3,8-9H2,1H3
InChIKeyPRUFGEFXHYUAFF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.24
Rot. Bonds2

About [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite

[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite (PubChem CID 144891240) has the molecular formula C18H19FN4S and a molecular weight of 342.44 g/mol. Its IUPAC name is [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite
PubChem CID144891240
Molecular FormulaC18H19FN4S
Molecular Weight342.44 g/mol
Exact Mass342.13
IUPAC Name[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite
SMILESCn1c2ccncc2c2ccc(N3C4CCC3CC(SF)C4)nc21
InChIInChI=1S/C18H19FN4S/c1-22-16-6-7-20-10-15(16)14-4-5-17(21-18(14)22)23-11-2-3-12(23)9-13(8-11)24-19/h4-7,10-13H,2-3,8-9H2,1H3
InChIKeyPRUFGEFXHYUAFF-UHFFFAOYSA-N
XLogP4.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite?
The IUPAC name of [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite (CID 144891240) is [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite.
What is the SMILES notation for [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite?
The canonical SMILES for [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite is Cn1c2ccncc2c2ccc(N3C4CCC3CC(SF)C4)nc21.
What is the InChIKey of [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite?
The InChIKey is PRUFGEFXHYUAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4S/c1-22-16-6-7-20-10-15(16)14-4-5-17(21-18(14)22)23-11-2-3-12(23)9-13(8-11)24-19/h4-7,10-13H,2-3,8-9H2,1H3.
What are the key properties of [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite?
[8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite has a molecular weight of 342.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-azabicyclo[3.2.1]octan-3-yl] thiohypofluorite is sourced from PubChem (CID 144891240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).