(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene

C20H25FN4OS — CID 144680919

IUPAC(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene
SMILESC=C.O=C1c2cnc3c(ccn3SF)c2N(C2CCCCC2)CN1C1CC1
InChIInChI=1S/C18H21FN4OS.C2H4/c19-25-23-9-8-14-16-15(10-20-17(14)23)18(24)22(13-6-7-13)11-21(16)12-4-2-1-3-5-12;1-2/h8-10,12-13H,1-7,11H2;1-2H2
InChIKeyCSZPDVJSXNITNA-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.93
Rot. Bonds3

About (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene

(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene (PubChem CID 144680919) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene.

Molecular Properties

Compound Name(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene
PubChem CID144680919
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene
SMILESC=C.O=C1c2cnc3c(ccn3SF)c2N(C2CCCCC2)CN1C1CC1
InChIInChI=1S/C18H21FN4OS.C2H4/c19-25-23-9-8-14-16-15(10-20-17(14)23)18(24)22(13-6-7-13)11-21(16)12-4-2-1-3-5-12;1-2/h8-10,12-13H,1-7,11H2;1-2H2
InChIKeyCSZPDVJSXNITNA-UHFFFAOYSA-N
XLogP4.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene?
The IUPAC name of (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene (CID 144680919) is (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene.
What is the SMILES notation for (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene?
The canonical SMILES for (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene is C=C.O=C1c2cnc3c(ccn3SF)c2N(C2CCCCC2)CN1C1CC1.
What is the InChIKey of (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene?
The InChIKey is CSZPDVJSXNITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS.C2H4/c19-25-23-9-8-14-16-15(10-20-17(14)23)18(24)22(13-6-7-13)11-21(16)12-4-2-1-3-5-12;1-2/h8-10,12-13H,1-7,11H2;1-2H2.
What are the key properties of (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene?
(13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene has a molecular weight of 388.51 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (13-cyclohexyl-11-cyclopropyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-5-yl) thiohypofluorite;ethene is sourced from PubChem (CID 144680919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).