2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide

C9H17F3N2O2S — CID 106247752

IUPAC2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7(16,5-17-3)4-14-6(15)8(2,13)9(10,11)12/h16H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyQAWKVFOETKSKAG-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.50
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide (PubChem CID 106247752) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide
PubChem CID106247752
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide
SMILESCSCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7(16,5-17-3)4-14-6(15)8(2,13)9(10,11)12/h16H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyQAWKVFOETKSKAG-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide (CID 106247752) is 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide is CSCC(C)(O)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide?
The InChIKey is QAWKVFOETKSKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-7(16,5-17-3)4-14-6(15)8(2,13)9(10,11)12/h16H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide has a molecular weight of 274.31 g/mol, XLogP of 0.50, 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-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide is sourced from PubChem (CID 106247752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).