N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide

C6H11F3N2O2S — CID 65188401

IUPACN-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5(3-10)4-1-2-4/h4-5,11H,1-3,10H2
InChIKeyXXWYBCFGRSRJTD-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.16
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide

N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 65188401) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID65188401
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5(3-10)4-1-2-4/h4-5,11H,1-3,10H2
InChIKeyXXWYBCFGRSRJTD-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide (CID 65188401) is N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide is NCC(NS(=O)(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XXWYBCFGRSRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5(3-10)4-1-2-4/h4-5,11H,1-3,10H2.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 65188401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).