1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C7H10F3N3O3S — CID 79799224

IUPAC1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(CS(C)(=O)=O)no1)C(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c1-6(11,7(8,9)10)5-12-4(13-16-5)3-17(2,14)15/h3,11H2,1-2H3
InChIKeyCSLQBTHQZUJZDK-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.35
Rot. Bonds3

About 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79799224) has the molecular formula C7H10F3N3O3S and a molecular weight of 273.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79799224
Molecular FormulaC7H10F3N3O3S
Molecular Weight273.24 g/mol
Exact Mass273.04
IUPAC Name1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(CS(C)(=O)=O)no1)C(F)(F)F
InChIInChI=1S/C7H10F3N3O3S/c1-6(11,7(8,9)10)5-12-4(13-16-5)3-17(2,14)15/h3,11H2,1-2H3
InChIKeyCSLQBTHQZUJZDK-UHFFFAOYSA-N
XLogP0.35
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79799224) is 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)(c1nc(CS(C)(=O)=O)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is CSLQBTHQZUJZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O3S/c1-6(11,7(8,9)10)5-12-4(13-16-5)3-17(2,14)15/h3,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 273.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79799224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).