3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide

C5H9F3N2O3S — CID 154028139

IUPAC3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
SMILESCNCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c1-9-3-2-4(11)10-14(12,13)5(6,7)8/h9H,2-3H2,1H3,(H,10,11)
InChIKeyZOWWRNQHBIWPJS-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.44
Rot. Bonds4

About 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide

3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 154028139) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
PubChem CID154028139
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
SMILESCNCCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c1-9-3-2-4(11)10-14(12,13)5(6,7)8/h9H,2-3H2,1H3,(H,10,11)
InChIKeyZOWWRNQHBIWPJS-UHFFFAOYSA-N
XLogP-0.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide (CID 154028139) is 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide is CNCCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is ZOWWRNQHBIWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c1-9-3-2-4(11)10-14(12,13)5(6,7)8/h9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide?
3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 234.20 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 154028139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).