6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C11H15F3N2O2S — CID 116627705

IUPAC6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1CCSC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)19-6-5-16-8(17)7-15-9(18)10(16)3-1-2-4-10/h1-7H2,(H,15,18)
InChIKeyYBRRTGOVVXZPQT-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.51
Rot. Bonds3

About 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 116627705) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID116627705
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1CCSC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c12-11(13,14)19-6-5-16-8(17)7-15-9(18)10(16)3-1-2-4-10/h1-7H2,(H,15,18)
InChIKeyYBRRTGOVVXZPQT-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 116627705) is 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CNC(=O)C2(CCCC2)N1CCSC(F)(F)F.
What is the InChIKey of 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is YBRRTGOVVXZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c12-11(13,14)19-6-5-16-8(17)7-15-9(18)10(16)3-1-2-4-10/h1-7H2,(H,15,18).
What are the key properties of 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 296.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 116627705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).