8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C10H11F3N2O3S — CID 106433464

IUPAC8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1CCSC(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19-5-4-15-7(17)9(2-1-3-9)6(16)14-8(15)18/h1-5H2,(H,14,16,18)
InChIKeyGUAMHGDCFWHEDO-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.49
Rot. Bonds3

About 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 106433464) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID106433464
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1CCSC(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19-5-4-15-7(17)9(2-1-3-9)6(16)14-8(15)18/h1-5H2,(H,14,16,18)
InChIKeyGUAMHGDCFWHEDO-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 106433464) is 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1CCSC(F)(F)F.
What is the InChIKey of 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is GUAMHGDCFWHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)19-5-4-15-7(17)9(2-1-3-9)6(16)14-8(15)18/h1-5H2,(H,14,16,18).
What are the key properties of 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 296.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethylsulfanyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 106433464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).