(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide

C3H4FNOS2 — CID 126487550

IUPAC(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide
SMILESO=C(/C=C\F)NSS
InChIInChI=1S/C3H4FNOS2/c4-2-1-3(6)5-8-7/h1-2,7H,(H,5,6)/b2-1-
InChIKeyWTMYPIMWWRWMMN-UPHRSURJSA-N
MW153.20 g/mol
LogP1.08
Rot. Bonds2

About (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide

(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide (PubChem CID 126487550) has the molecular formula C3H4FNOS2 and a molecular weight of 153.20 g/mol. Its IUPAC name is (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide
PubChem CID126487550
Molecular FormulaC3H4FNOS2
Molecular Weight153.20 g/mol
Exact Mass152.97
IUPAC Name(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide
SMILESO=C(/C=C\F)NSS
InChIInChI=1S/C3H4FNOS2/c4-2-1-3(6)5-8-7/h1-2,7H,(H,5,6)/b2-1-
InChIKeyWTMYPIMWWRWMMN-UPHRSURJSA-N
XLogP1.08
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide?
The IUPAC name of (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide (CID 126487550) is (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide.
What is the SMILES notation for (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide?
The canonical SMILES for (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide is O=C(/C=C\F)NSS.
What is the InChIKey of (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide?
The InChIKey is WTMYPIMWWRWMMN-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4FNOS2/c4-2-1-3(6)5-8-7/h1-2,7H,(H,5,6)/b2-1-.
What are the key properties of (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide?
(Z)-N-(disulfanyl)-3-fluoroprop-2-enamide has a molecular weight of 153.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(disulfanyl)-3-fluoroprop-2-enamide is sourced from PubChem (CID 126487550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).