2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C9H15F3N2OS — CID 106428265

IUPAC2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C(=O)NCCSC(F)(F)F)C1CNC1
InChIInChI=1S/C9H15F3N2OS/c1-6(7-4-13-5-7)8(15)14-2-3-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyYJQLOPKAMPZBAL-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.21
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 106428265) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID106428265
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC Name2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C(=O)NCCSC(F)(F)F)C1CNC1
InChIInChI=1S/C9H15F3N2OS/c1-6(7-4-13-5-7)8(15)14-2-3-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyYJQLOPKAMPZBAL-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 116678297
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
CID 116678618
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
CID 116676916
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
(2R)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103795366

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 106428265) is 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is CC(C(=O)NCCSC(F)(F)F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is YJQLOPKAMPZBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-6(7-4-13-5-7)8(15)14-2-3-16-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 256.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106428265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).