(Z)-3-fluoro-N-sulfanylprop-2-enamide

C3H4FNOS — CID 139570635

IUPAC(Z)-3-fluoro-N-sulfanylprop-2-enamide
SMILESO=C(/C=C\F)NS
InChIInChI=1S/C3H4FNOS/c4-2-1-3(6)5-7/h1-2,7H,(H,5,6)/b2-1-
InChIKeyUWACNKYQOUPRLM-UPHRSURJSA-N
MW121.14 g/mol
LogP0.43
Rot. Bonds1

About (Z)-3-fluoro-N-sulfanylprop-2-enamide

(Z)-3-fluoro-N-sulfanylprop-2-enamide (PubChem CID 139570635) has the molecular formula C3H4FNOS and a molecular weight of 121.14 g/mol. Its IUPAC name is (Z)-3-fluoro-N-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-N-sulfanylprop-2-enamide
PubChem CID139570635
Molecular FormulaC3H4FNOS
Molecular Weight121.14 g/mol
Exact Mass121.00
IUPAC Name(Z)-3-fluoro-N-sulfanylprop-2-enamide
SMILESO=C(/C=C\F)NS
InChIInChI=1S/C3H4FNOS/c4-2-1-3(6)5-7/h1-2,7H,(H,5,6)/b2-1-
InChIKeyUWACNKYQOUPRLM-UPHRSURJSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-N-sulfanylprop-2-enamide?
The IUPAC name of (Z)-3-fluoro-N-sulfanylprop-2-enamide (CID 139570635) is (Z)-3-fluoro-N-sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-N-sulfanylprop-2-enamide?
The canonical SMILES for (Z)-3-fluoro-N-sulfanylprop-2-enamide is O=C(/C=C\F)NS.
What is the InChIKey of (Z)-3-fluoro-N-sulfanylprop-2-enamide?
The InChIKey is UWACNKYQOUPRLM-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4FNOS/c4-2-1-3(6)5-7/h1-2,7H,(H,5,6)/b2-1-.
What are the key properties of (Z)-3-fluoro-N-sulfanylprop-2-enamide?
(Z)-3-fluoro-N-sulfanylprop-2-enamide has a molecular weight of 121.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-N-sulfanylprop-2-enamide is sourced from PubChem (CID 139570635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).