2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide

C5H8F3NO3S2 — CID 23401497

IUPAC2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
SMILESCS(=O)(=O)SCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S2/c1-14(11,12)13-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyYYNYHLFOZQCSQC-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.36
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide

2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide (PubChem CID 23401497) has the molecular formula C5H8F3NO3S2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
PubChem CID23401497
Molecular FormulaC5H8F3NO3S2
Molecular Weight251.25 g/mol
Exact Mass250.99
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
SMILESCS(=O)(=O)SCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S2/c1-14(11,12)13-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyYYNYHLFOZQCSQC-UHFFFAOYSA-N
XLogP0.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2,2,2-trifluoro-N-[3-(methoxyamino)propyl]acetamide
CID 130627633
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
CID 130165694
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
1,2-bis(methylsulfonylsulfanyl)ethane
CID 564320
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-[(E)-3-methylsulfonylprop-2-enyl]acetamide
CID 167733995
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide (CID 23401497) is 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide is CS(=O)(=O)SCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide?
The InChIKey is YYNYHLFOZQCSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S2/c1-14(11,12)13-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide?
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide has a molecular weight of 251.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide is sourced from PubChem (CID 23401497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).