2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C4H9F3N2O2S — CID 24691755

IUPAC2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c5-4(6,7)3-9-12(10,11)2-1-8/h9H,1-3,8H2
InChIKeyUCZNOTCZJGYDDD-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.57
Rot. Bonds4

About 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 24691755) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID24691755
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H9F3N2O2S/c5-4(6,7)3-9-12(10,11)2-1-8/h9H,1-3,8H2
InChIKeyUCZNOTCZJGYDDD-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 24691755) is 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide is NCCS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is UCZNOTCZJGYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c5-4(6,7)3-9-12(10,11)2-1-8/h9H,1-3,8H2.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 206.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 24691755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).