5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione

C8H11F3N2O2S — CID 106433160

IUPAC5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCC1CN(CCSC(F)(F)F)C(=O)NC1=O
InChIInChI=1S/C8H11F3N2O2S/c1-5-4-13(7(15)12-6(5)14)2-3-16-8(9,10)11/h5H,2-4H2,1H3,(H,12,14,15)
InChIKeyMPQDRKISQJXKOI-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.43
Rot. Bonds3

About 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione

5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 106433160) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID106433160
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC Name5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCC1CN(CCSC(F)(F)F)C(=O)NC1=O
InChIInChI=1S/C8H11F3N2O2S/c1-5-4-13(7(15)12-6(5)14)2-3-16-8(9,10)11/h5H,2-4H2,1H3,(H,12,14,15)
InChIKeyMPQDRKISQJXKOI-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione (CID 106433160) is 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione is CC1CN(CCSC(F)(F)F)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is MPQDRKISQJXKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2S/c1-5-4-13(7(15)12-6(5)14)2-3-16-8(9,10)11/h5H,2-4H2,1H3,(H,12,14,15).
What are the key properties of 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione?
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 256.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 106433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).