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

C3H7F3N2O2S — CID 43603512

IUPACN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c4-3(5,6)11(9,10)8-2-1-7/h8H,1-2,7H2
InChIKeyLQSTWVDFDGVQPE-UHFFFAOYSA-N
MW192.16 g/mol
LogP-0.62
Rot. Bonds3

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

N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 43603512) has the molecular formula C3H7F3N2O2S and a molecular weight of 192.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID43603512
Molecular FormulaC3H7F3N2O2S
Molecular Weight192.16 g/mol
Exact Mass192.02
IUPAC NameN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c4-3(5,6)11(9,10)8-2-1-7/h8H,1-2,7H2
InChIKeyLQSTWVDFDGVQPE-UHFFFAOYSA-N
XLogP-0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide (CID 43603512) is N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide is NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is LQSTWVDFDGVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O2S/c4-3(5,6)11(9,10)8-2-1-7/h8H,1-2,7H2.
What are the key properties of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 192.16 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 43603512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).