2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide

C7H14F3N3O3S — CID 79797166

IUPAC2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-6(11,7(8,9)10)5(14)12-3-4-13-17(2,15)16/h13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyNAFFWGDJQKAUJV-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.07
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (PubChem CID 79797166) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
PubChem CID79797166
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c1-6(11,7(8,9)10)5(14)12-3-4-13-17(2,15)16/h13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyNAFFWGDJQKAUJV-UHFFFAOYSA-N
XLogP-1.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide (CID 79797166) is 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is CC(N)(C(=O)NCCNS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
The InChIKey is NAFFWGDJQKAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c1-6(11,7(8,9)10)5(14)12-3-4-13-17(2,15)16/h13H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide has a molecular weight of 277.27 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide is sourced from PubChem (CID 79797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).