6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

C13H14N2O4S — CID 21162204

IUPAC6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cc2c(cc1C)S(=O)(=O)CCC21NC(=O)NC1=O
InChIInChI=1S/C13H14N2O4S/c1-7-5-9-10(6-8(7)2)20(18,19)4-3-13(9)11(16)14-12(17)15-13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyXFSZVUNSGMQRSC-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.52
Rot. Bonds

About 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 21162204) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID21162204
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCc1cc2c(cc1C)S(=O)(=O)CCC21NC(=O)NC1=O
InChIInChI=1S/C13H14N2O4S/c1-7-5-9-10(6-8(7)2)20(18,19)4-3-13(9)11(16)14-12(17)15-13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyXFSZVUNSGMQRSC-UHFFFAOYSA-N
XLogP0.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione 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

7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 21162197
6,8-dimethylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572756
6-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 21162203
6-hydroxy-7-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 91607903
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10869704
(3R)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 118958026
N-(2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl)acetamide
CID 118956972
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 18354311
6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione
CID 82276062
6-ethynylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 143990894
1-methylspiro[6,7-dihydro-5H-indole-4,5'-imidazolidine]-2',4'-dione
CID 11535880

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 21162204) is 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is Cc1cc2c(cc1C)S(=O)(=O)CCC21NC(=O)NC1=O.
What is the InChIKey of 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is XFSZVUNSGMQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-7-5-9-10(6-8(7)2)20(18,19)4-3-13(9)11(16)14-12(17)15-13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 294.33 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 21162204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).