3-ethylsulfanyl-2-fluoro-N-methylpropanamide

C6H12FNOS — CID 90339086

IUPAC3-ethylsulfanyl-2-fluoro-N-methylpropanamide
SMILESCCSCC(F)C(=O)NC
InChIInChI=1S/C6H12FNOS/c1-3-10-4-5(7)6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyRLIXXPIVZWITLU-UHFFFAOYSA-N
MW165.23 g/mol
LogP0.82
Rot. Bonds4

About 3-ethylsulfanyl-2-fluoro-N-methylpropanamide

3-ethylsulfanyl-2-fluoro-N-methylpropanamide (PubChem CID 90339086) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-fluoro-N-methylpropanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-2-fluoro-N-methylpropanamide
PubChem CID90339086
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name3-ethylsulfanyl-2-fluoro-N-methylpropanamide
SMILESCCSCC(F)C(=O)NC
InChIInChI=1S/C6H12FNOS/c1-3-10-4-5(7)6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyRLIXXPIVZWITLU-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-fluoro-N-methylpropanamide?
The IUPAC name of 3-ethylsulfanyl-2-fluoro-N-methylpropanamide (CID 90339086) is 3-ethylsulfanyl-2-fluoro-N-methylpropanamide.
What is the SMILES notation for 3-ethylsulfanyl-2-fluoro-N-methylpropanamide?
The canonical SMILES for 3-ethylsulfanyl-2-fluoro-N-methylpropanamide is CCSCC(F)C(=O)NC.
What is the InChIKey of 3-ethylsulfanyl-2-fluoro-N-methylpropanamide?
The InChIKey is RLIXXPIVZWITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNOS/c1-3-10-4-5(7)6(9)8-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-ethylsulfanyl-2-fluoro-N-methylpropanamide?
3-ethylsulfanyl-2-fluoro-N-methylpropanamide has a molecular weight of 165.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-fluoro-N-methylpropanamide is sourced from PubChem (CID 90339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).