N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide

C7H13F3N2O2S — CID 123597794

IUPACN-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCCN1CC(NS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-2-12-3-6(4-12)11-15(13,14)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyXQNHJWFAIUXPMD-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.17
Rot. Bonds4

About N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide

N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 123597794) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide
PubChem CID123597794
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC NameN-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide
SMILESCCN1CC(NS(=O)(=O)CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c1-2-12-3-6(4-12)11-15(13,14)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyXQNHJWFAIUXPMD-UHFFFAOYSA-N
XLogP0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide (CID 123597794) is N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide is CCN1CC(NS(=O)(=O)CC(F)(F)F)C1.
What is the InChIKey of N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is XQNHJWFAIUXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-2-12-3-6(4-12)11-15(13,14)5-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide?
N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazetidin-3-yl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 123597794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).