2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide

C9H17F3N2O3S — CID 79810936

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(N)(C(=O)NCC(C)(C)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7(2,18(4,16)17)5-14-6(15)8(3,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)
InChIKeyZJOJVWYHCATUCQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.21
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide (PubChem CID 79810936) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
PubChem CID79810936
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
SMILESCC(N)(C(=O)NCC(C)(C)S(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c1-7(2,18(4,16)17)5-14-6(15)8(3,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15)
InChIKeyZJOJVWYHCATUCQ-UHFFFAOYSA-N
XLogP0.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide (CID 79810936) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide is CC(N)(C(=O)NCC(C)(C)S(C)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
The InChIKey is ZJOJVWYHCATUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-7(2,18(4,16)17)5-14-6(15)8(3,13)9(10,11)12/h5,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide has a molecular weight of 290.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide is sourced from PubChem (CID 79810936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).