(Z)-3-sulfanylprop-2-enamide

C3H5NOS — CID 59751965

IUPAC(Z)-3-sulfanylprop-2-enamide
SMILESNC(=O)/C=C\S
InChIInChI=1S/C3H5NOS/c4-3(5)1-2-6/h1-2,6H,(H2,4,5)/b2-1-
InChIKeyWXCPESFTJSLCIE-UPHRSURJSA-N
MW103.15 g/mol
LogP-0.08
Rot. Bonds1

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

(Z)-3-sulfanylprop-2-enamide (PubChem CID 59751965) has the molecular formula C3H5NOS and a molecular weight of 103.15 g/mol. Its IUPAC name is (Z)-3-sulfanylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-sulfanylprop-2-enamide
PubChem CID59751965
Molecular FormulaC3H5NOS
Molecular Weight103.15 g/mol
Exact Mass103.01
IUPAC Name(Z)-3-sulfanylprop-2-enamide
SMILESNC(=O)/C=C\S
InChIInChI=1S/C3H5NOS/c4-3(5)1-2-6/h1-2,6H,(H2,4,5)/b2-1-
InChIKeyWXCPESFTJSLCIE-UPHRSURJSA-N
XLogP-0.08
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.15
LogP ≤ 5-0.08
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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Related Compounds

Isothiazolin-3-one
CID 96917
(E)-3-methylsulfanylprop-2-enamide
CID 11819072
3-Methylsulfanylprop-2-enamide
CID 73116302
3-Mercaptoacrylamide
CID 72552106
(Z)-2-fluoro-3-sulfanylprop-2-enamide
CID 88605532
2-Fluoro-3-sulfanylprop-2-enamide
CID 173388818
Thiocyanic acid, cis-2-carbamoylvinyl ester
CID 5380389
[(E)-3-amino-3-oxoprop-1-enyl] thiocyanate
CID 5778062
(3-Amino-3-oxoprop-1-enyl) thiocyanate
CID 261442
1,2-Thiazol-3-one;hydrochloride
CID 18783296
Copper;1,2-thiazol-3-one
CID 70231643
Azane;1,2-thiazol-3-one
CID 88444022

Frequently Asked Questions

What is the IUPAC name of (Z)-3-sulfanylprop-2-enamide?
The IUPAC name of (Z)-3-sulfanylprop-2-enamide (CID 59751965) is (Z)-3-sulfanylprop-2-enamide.
What is the SMILES notation for (Z)-3-sulfanylprop-2-enamide?
The canonical SMILES for (Z)-3-sulfanylprop-2-enamide is NC(=O)/C=C\S.
What is the InChIKey of (Z)-3-sulfanylprop-2-enamide?
The InChIKey is WXCPESFTJSLCIE-UPHRSURJSA-N. The full InChI is InChI=1S/C3H5NOS/c4-3(5)1-2-6/h1-2,6H,(H2,4,5)/b2-1-.
What are the key properties of (Z)-3-sulfanylprop-2-enamide?
(Z)-3-sulfanylprop-2-enamide has a molecular weight of 103.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-sulfanylprop-2-enamide is sourced from PubChem (CID 59751965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).