3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide

C6H8F3NO4S — CID 146374336

IUPAC3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CCC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(12,13)10-5(11)2-1-4-3-14-4/h4H,1-3H2,(H,10,11)
InChIKeyCSCZRIZLZJDBHD-UHFFFAOYSA-N
MW247.19 g/mol
LogP0.13
Rot. Bonds4

About 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide

3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 146374336) has the molecular formula C6H8F3NO4S and a molecular weight of 247.19 g/mol. Its IUPAC name is 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide
PubChem CID146374336
Molecular FormulaC6H8F3NO4S
Molecular Weight247.19 g/mol
Exact Mass247.01
IUPAC Name3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CCC1CO1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO4S/c7-6(8,9)15(12,13)10-5(11)2-1-4-3-14-4/h4H,1-3H2,(H,10,11)
InChIKeyCSCZRIZLZJDBHD-UHFFFAOYSA-N
XLogP0.13
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide (CID 146374336) is 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide is O=C(CCC1CO1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is CSCZRIZLZJDBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4S/c7-6(8,9)15(12,13)10-5(11)2-1-4-3-14-4/h4H,1-3H2,(H,10,11).
What are the key properties of 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide?
3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 247.19 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yl)-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 146374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).