[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite

C19H23FN4OS — CID 144891342

IUPAC[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite
SMILESCCN1CCc2c(c3ccc(N4CC5(CC(SF)C5)C4)nc3n2C)C1=O
InChIInChI=1S/C19H23FN4OS/c1-3-23-7-6-14-16(18(23)25)13-4-5-15(21-17(13)22(14)2)24-10-19(11-24)8-12(9-19)26-20/h4-5,12H,3,6-11H2,1-2H3
InChIKeyCMMNMFBRBSHRHR-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.18
Rot. Bonds3

About [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite

[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite (PubChem CID 144891342) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite
PubChem CID144891342
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite
SMILESCCN1CCc2c(c3ccc(N4CC5(CC(SF)C5)C4)nc3n2C)C1=O
InChIInChI=1S/C19H23FN4OS/c1-3-23-7-6-14-16(18(23)25)13-4-5-15(21-17(13)22(14)2)24-10-19(11-24)8-12(9-19)26-20/h4-5,12H,3,6-11H2,1-2H3
InChIKeyCMMNMFBRBSHRHR-UHFFFAOYSA-N
XLogP3.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite?
The IUPAC name of [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite (CID 144891342) is [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite.
What is the SMILES notation for [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite?
The canonical SMILES for [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite is CCN1CCc2c(c3ccc(N4CC5(CC(SF)C5)C4)nc3n2C)C1=O.
What is the InChIKey of [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite?
The InChIKey is CMMNMFBRBSHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-3-23-7-6-14-16(18(23)25)13-4-5-15(21-17(13)22(14)2)24-10-19(11-24)8-12(9-19)26-20/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite?
[2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite has a molecular weight of 374.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-8-methyl-3-oxo-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-2-azaspiro[3.3]heptan-6-yl] thiohypofluorite is sourced from PubChem (CID 144891342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).