2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2S — CID 106247263

IUPAC2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(C)(O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-8(16,6-17-2)4-13-3-7(15)14-5-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyGJRUABPHLDIXSD-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.37
Rot. Bonds7

About 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106247263) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106247263
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCSCC(C)(O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-8(16,6-17-2)4-13-3-7(15)14-5-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15)
InChIKeyGJRUABPHLDIXSD-UHFFFAOYSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106247263) is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CSCC(C)(O)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GJRUABPHLDIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-8(16,6-17-2)4-13-3-7(15)14-5-9(10,11)12/h13,16H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106247263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).