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

C5H11F3N2O2S — CID 63732648

IUPACN-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-4(9)3-10-13(11,12)5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyGDZWEJIKZHXFAI-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.16
Rot. Bonds4

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

N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 63732648) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID63732648
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-2-4(9)3-10-13(11,12)5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyGDZWEJIKZHXFAI-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
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-aminobutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide (CID 63732648) is N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide is CCC(N)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GDZWEJIKZHXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-2-4(9)3-10-13(11,12)5(6,7)8/h4,10H,2-3,9H2,1H3.
What are the key properties of N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-aminobutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 220.22 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-aminobutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 63732648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).