N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide

C4H9F3N2O2S — CID 123513868

IUPACN-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C4H9F3N2O2S/c5-3-4(6,7)12(10,11)9-2-1-8/h9H,1-3,8H2
InChIKeyIHLIZCNLQUMPJB-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.57
Rot. Bonds5

About N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide

N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide (PubChem CID 123513868) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide
PubChem CID123513868
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC NameN-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C4H9F3N2O2S/c5-3-4(6,7)12(10,11)9-2-1-8/h9H,1-3,8H2
InChIKeyIHLIZCNLQUMPJB-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide (CID 123513868) is N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide is NCCNS(=O)(=O)C(F)(F)CF.
What is the InChIKey of N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide?
The InChIKey is IHLIZCNLQUMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c5-3-4(6,7)12(10,11)9-2-1-8/h9H,1-3,8H2.
What are the key properties of N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide?
N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide has a molecular weight of 206.19 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1,2-trifluoroethanesulfonamide is sourced from PubChem (CID 123513868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).