N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O2S — CID 56992749

IUPACN-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(N)C(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-3(9)4(2)10-13(11,12)5(6,7)8/h3-4,10H,9H2,1-2H3
InChIKeyJNDJUZZGBUMSKO-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.16
Rot. Bonds3

About N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 56992749) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID56992749
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC NameN-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(N)C(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-3(9)4(2)10-13(11,12)5(6,7)8/h3-4,10H,9H2,1-2H3
InChIKeyJNDJUZZGBUMSKO-UHFFFAOYSA-N
XLogP0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 56992749) is N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(N)C(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is JNDJUZZGBUMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-3(9)4(2)10-13(11,12)5(6,7)8/h3-4,10H,9H2,1-2H3.
What are the key properties of N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 220.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 56992749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).