3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one

C6H9F3N2OS — CID 106433475

IUPAC3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one
SMILESNC1CN(CCSC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)13-2-1-11-3-4(10)5(11)12/h4H,1-3,10H2
InChIKeyUHWSFNJTHAEIES-UHFFFAOYSA-N
MW214.21 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one

3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one (PubChem CID 106433475) has the molecular formula C6H9F3N2OS and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one
PubChem CID106433475
Molecular FormulaC6H9F3N2OS
Molecular Weight214.21 g/mol
Exact Mass214.04
IUPAC Name3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one
SMILESNC1CN(CCSC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2OS/c7-6(8,9)13-2-1-11-3-4(10)5(11)12/h4H,1-3,10H2
InChIKeyUHWSFNJTHAEIES-UHFFFAOYSA-N
XLogP0.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one?
The IUPAC name of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one (CID 106433475) is 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one?
The canonical SMILES for 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one is NC1CN(CCSC(F)(F)F)C1=O.
What is the InChIKey of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one?
The InChIKey is UHWSFNJTHAEIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2OS/c7-6(8,9)13-2-1-11-3-4(10)5(11)12/h4H,1-3,10H2.
What are the key properties of 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one?
3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one has a molecular weight of 214.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-2-one is sourced from PubChem (CID 106433475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).