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

C3H8ClF3N2O2S — CID 86649952

IUPACN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S.ClH/c4-3(5,6)11(9,10)8-2-1-7;/h8H,1-2,7H2;1H
InChIKeyMSEXLKBTOZNUON-UHFFFAOYSA-N
MW228.62 g/mol
LogP-0.19
Rot. Bonds3

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

N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride (PubChem CID 86649952) has the molecular formula C3H8ClF3N2O2S and a molecular weight of 228.62 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride
PubChem CID86649952
Molecular FormulaC3H8ClF3N2O2S
Molecular Weight228.62 g/mol
Exact Mass227.99
IUPAC NameN-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S.ClH/c4-3(5,6)11(9,10)8-2-1-7;/h8H,1-2,7H2;1H
InChIKeyMSEXLKBTOZNUON-UHFFFAOYSA-N
XLogP-0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.62
LogP ≤ 5-0.19
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;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride (CID 86649952) is N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride?
The InChIKey is MSEXLKBTOZNUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3N2O2S.ClH/c4-3(5,6)11(9,10)8-2-1-7;/h8H,1-2,7H2;1H.
What are the key properties of N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride?
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide;hydrochloride has a molecular weight of 228.62 g/mol, XLogP of -0.19, 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;hydrochloride is sourced from PubChem (CID 86649952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).