N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide

C5H11F3N2O3S — CID 64541057

IUPACN-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(O)C(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-3(11)4(9)2-10-14(12,13)5(6,7)8/h3-4,10-11H,2,9H2,1H3
InChIKeyVEUODCQJYMTADD-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.87
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide

N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 64541057) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID64541057
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.22 g/mol
Exact Mass236.04
IUPAC NameN-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(O)C(N)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O3S/c1-3(11)4(9)2-10-14(12,13)5(6,7)8/h3-4,10-11H,2,9H2,1H3
InChIKeyVEUODCQJYMTADD-UHFFFAOYSA-N
XLogP-0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide (CID 64541057) is N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide is CC(O)C(N)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is VEUODCQJYMTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S/c1-3(11)4(9)2-10-14(12,13)5(6,7)8/h3-4,10-11H,2,9H2,1H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 236.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 64541057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).