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

C10H19F3N2O2S — CID 106246953

IUPAC2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCC(C)(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-7(8(16)15-5-10(11,12)13)14-4-9(2,17)6-18-3/h7,14,17H,4-6H2,1-3H3,(H,15,16)
InChIKeyCSWJUTMMWQPSIA-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.76
Rot. Bonds7

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

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106246953) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106246953
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCC(C)(O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-7(8(16)15-5-10(11,12)13)14-4-9(2,17)6-18-3/h7,14,17H,4-6H2,1-3H3,(H,15,16)
InChIKeyCSWJUTMMWQPSIA-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.76
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)propanamide?
The IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106246953) is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CSCC(C)(O)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CSWJUTMMWQPSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-7(8(16)15-5-10(11,12)13)14-4-9(2,17)6-18-3/h7,14,17H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.34 g/mol, XLogP of 0.76, 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)propanamide is sourced from PubChem (CID 106246953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).