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

C12H17F3N2O2S — CID 116627679

IUPAC8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1C(=O)NC2(CCCC2)C(=O)N1CCSC(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-8-9(18)16-11(4-2-3-5-11)10(19)17(8)6-7-20-12(13,14)15/h8H,2-7H2,1H3,(H,16,18)
InChIKeyXZOIVPQAORKWMB-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.90
Rot. Bonds3

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

8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 116627679) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID116627679
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1C(=O)NC2(CCCC2)C(=O)N1CCSC(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-8-9(18)16-11(4-2-3-5-11)10(19)17(8)6-7-20-12(13,14)15/h8H,2-7H2,1H3,(H,16,18)
InChIKeyXZOIVPQAORKWMB-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-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383
8-methyl-9-(2-thiomorpholin-4-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106326405
9-hex-5-ynyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106210771
9-(3-ethoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958654
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 113466968
9-(2-ethoxy-2-methylpropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114944504
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 116627679) is 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is CC1C(=O)NC2(CCCC2)C(=O)N1CCSC(F)(F)F.
What is the InChIKey of 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is XZOIVPQAORKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-8-9(18)16-11(4-2-3-5-11)10(19)17(8)6-7-20-12(13,14)15/h8H,2-7H2,1H3,(H,16,18).
What are the key properties of 8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-9-[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-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 116627679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).