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

C12H17F3N2O2S — CID 116627621

IUPAC8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C12H17F3N2O2S/c1-8-9(18)17(6-7-20-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19)
InChIKeyLADBYVHIXWPGKB-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.90
Rot. Bonds3

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

8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 116627621) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID116627621
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O
InChIInChI=1S/C12H17F3N2O2S/c1-8-9(18)17(6-7-20-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19)
InChIKeyLADBYVHIXWPGKB-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 116627621) is 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is CC1NC(=O)C2(CCCC2)N(CCSC(F)(F)F)C1=O.
What is the InChIKey of 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is LADBYVHIXWPGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-8-9(18)17(6-7-20-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19).
What are the key properties of 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 310.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 116627621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).