1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one

C16H14N2O3S — CID 10519329

IUPAC1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one
SMILESO=C1NS(=O)(=O)NC12c1ccccc1CCc1ccccc12
InChIInChI=1S/C16H14N2O3S/c19-15-16(18-22(20,21)17-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,18H,9-10H2,(H,17,19)
InChIKeyUTCMESDDQLUDSC-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.99
Rot. Bonds

About 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one

1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one (PubChem CID 10519329) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one.

Molecular Properties

Compound Name1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one
PubChem CID10519329
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one
SMILESO=C1NS(=O)(=O)NC12c1ccccc1CCc1ccccc12
InChIInChI=1S/C16H14N2O3S/c19-15-16(18-22(20,21)17-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,18H,9-10H2,(H,17,19)
InChIKeyUTCMESDDQLUDSC-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1,1-diphenyl-3,4-dihydro-2H-isoquinoline
CID 59396601
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
spiro[1,2-dihydroindene-3,3'-2,4-dihydro-1λ6,2-benzothiazine] 1',1'-dioxide
CID 10660804
spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
CID 24846104
spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 13053011
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
CID 139670868

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one?
The IUPAC name of 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one (CID 10519329) is 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one.
What is the SMILES notation for 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one?
The canonical SMILES for 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one is O=C1NS(=O)(=O)NC12c1ccccc1CCc1ccccc12.
What is the InChIKey of 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one?
The InChIKey is UTCMESDDQLUDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-15-16(18-22(20,21)17-15)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,18H,9-10H2,(H,17,19).
What are the key properties of 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one?
1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one has a molecular weight of 314.37 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxospiro[1,2,5-thiadiazolidine-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-3-one is sourced from PubChem (CID 10519329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).