7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C6H8N2O2S — CID 4868343

IUPAC7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCSC2)N1
InChIInChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChIKeyMDNCSTBDLRSGIJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.30
Rot. Bonds

About 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 4868343) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID4868343
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCSC2)N1
InChIInChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChIKeyMDNCSTBDLRSGIJ-UHFFFAOYSA-N
XLogP-0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 4868343) is 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCSC2)N1.
What is the InChIKey of 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MDNCSTBDLRSGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10).
What are the key properties of 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 172.21 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 4868343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).