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

C13H19F3N2O2S — CID 116627659

IUPAC8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2S/c1-2-9-10(19)18(7-8-21-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h9H,2-8H2,1H3,(H,17,20)
InChIKeyCEOFEMZIPJLWHY-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.29
Rot. Bonds4

About 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione

8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 116627659) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID116627659
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2S/c1-2-9-10(19)18(7-8-21-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h9H,2-8H2,1H3,(H,17,20)
InChIKeyCEOFEMZIPJLWHY-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

1-(cyclopentanecarbonyl)-N-(2-sulfanylethyl)piperidine-2-carboxamide
CID 177680417
1-(4-methylpiperazin-1-yl)-N-(2-sulfanylethyl)cyclopentane-1-carboxamide
CID 177680487
4-[1-(Cyclohexylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
CID 135003321
4-[1-(Butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
CID 135004267
6-(2,2-Difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873389
8-Propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873391
8-Propyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874377
6-(2,2-Difluoroethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874413
8-Propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874593
8-Propan-2-yl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874599
8-Methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875105
6-(2,2-Difluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875299

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 116627659) is 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is CCC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is CEOFEMZIPJLWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-2-9-10(19)18(7-8-21-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h9H,2-8H2,1H3,(H,17,20).
What are the key properties of 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 324.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 116627659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).