1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one

C7H11F3N2OS — CID 106433191

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCSC(F)(F)F
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-4-12-3-1-2-11-6(12)13/h1-5H2,(H,11,13)
InChIKeySJXDPZGBOUCHNO-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.65
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one

1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one (PubChem CID 106433191) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one
PubChem CID106433191
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1CCSC(F)(F)F
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-4-12-3-1-2-11-6(12)13/h1-5H2,(H,11,13)
InChIKeySJXDPZGBOUCHNO-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one (CID 106433191) is 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one is O=C1NCCCN1CCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one?
The InChIKey is SJXDPZGBOUCHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c8-7(9,10)14-5-4-12-3-1-2-11-6(12)13/h1-5H2,(H,11,13).
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one?
1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one has a molecular weight of 228.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 106433191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).