2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide

C6H11F3N2O2S — CID 89470157

IUPAC2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c1-11-2-5(3-11)10-14(12,13)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyYURMTELAHGMWHY-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.22
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide

2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide (PubChem CID 89470157) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide
PubChem CID89470157
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S/c1-11-2-5(3-11)10-14(12,13)4-6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyYURMTELAHGMWHY-UHFFFAOYSA-N
XLogP-0.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide (CID 89470157) is 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide is CN1CC(NS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide?
The InChIKey is YURMTELAHGMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c1-11-2-5(3-11)10-14(12,13)4-6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide?
2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-methylazetidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 89470157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).