2-thia-5,7-diazaspiro[3.4]octane-6,8-dione

C5H6N2O2S — CID 15024262

IUPAC2-thia-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(CSC2)N1
InChIInChI=1S/C5H6N2O2S/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyQLZVDKQMPIEAHO-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.69
Rot. Bonds

About 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione

2-thia-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 15024262) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-thia-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID15024262
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-thia-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC(=O)C2(CSC2)N1
InChIInChI=1S/C5H6N2O2S/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyQLZVDKQMPIEAHO-UHFFFAOYSA-N
XLogP-0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-Bis(mercaptomethyl)-2,4-imidazolidinedione
CID 454317
7-Thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4868343
7,8-Dithia-1,3-diaza-spiro(4.4)nonane-2,4-dione
CID 457918
2,4-Imidazolidinedione, 5-(mercaptomethyl)-5-methyl-, (5S)-
CID 9989517
(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 10103426
5-Methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 10441963
5-Tert-butylthiomethyl-5-methylhydantoin
CID 11195294
(5S)-5-[(Tert-butylthio)methyl]-5-methylimidazolidine-2,4-dione
CID 16679761
2,5-Dioxoimidazolidine-4,4-dicarbothialdehyde
CID 19079842
5-Methyl-5-(propylsulfanylmethyl)imidazolidine-2,4-dione
CID 21133012
5-(2-Aminoethylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
CID 21966792
4-Methyl-2,5-dioxoimidazolidine-4-carbothialdehyde
CID 23077151

Frequently Asked Questions

What is the IUPAC name of 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione (CID 15024262) is 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC(=O)C2(CSC2)N1.
What is the InChIKey of 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is QLZVDKQMPIEAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c8-3-5(1-10-2-5)7-4(9)6-3/h1-2H2,(H2,6,7,8,9).
What are the key properties of 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione?
2-thia-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 158.18 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thia-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 15024262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).