but-3-enamide;ethenesulfonate

C6H10NO4S- — CID 86736729

IUPACbut-3-enamide;ethenesulfonate
SMILESC=CCC(N)=O.C=CS(=O)(=O)[O-]
InChIInChI=1S/C4H7NO.C2H4O3S/c1-2-3-4(5)6;1-2-6(3,4)5/h2H,1,3H2,(H2,5,6);2H,1H2,(H,3,4,5)/p-1
InChIKeyORJJHGUOCLFJSR-UHFFFAOYSA-M
MW192.22 g/mol
LogP-0.28
Rot. Bonds3

About but-3-enamide;ethenesulfonate

but-3-enamide;ethenesulfonate (PubChem CID 86736729) has the molecular formula C6H10NO4S- and a molecular weight of 192.22 g/mol. Its IUPAC name is but-3-enamide;ethenesulfonate.

Molecular Properties

Compound Namebut-3-enamide;ethenesulfonate
PubChem CID86736729
Molecular FormulaC6H10NO4S-
Molecular Weight192.22 g/mol
Exact Mass192.03
IUPAC Namebut-3-enamide;ethenesulfonate
SMILESC=CCC(N)=O.C=CS(=O)(=O)[O-]
InChIInChI=1S/C4H7NO.C2H4O3S/c1-2-3-4(5)6;1-2-6(3,4)5/h2H,1,3H2,(H2,5,6);2H,1H2,(H,3,4,5)/p-1
InChIKeyORJJHGUOCLFJSR-UHFFFAOYSA-M
XLogP-0.28
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;but-3-enamide;hydride
CID 175440454
ethenesulfonate;holmium(3+)
CID 163217157
ethenesulfonate;rubidium(1+)
CID 140700043
potassium ethenesulfonate
CID 23693598
sodium;2-methylidenepent-4-enamide;prop-2-ene-1-sulfonate
CID 175518990
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
ethene;hex-3-enediamide
CID 173451408
but-3-enoic acid;sulfuric acid
CID 87373537
prop-2-enylsulfonylformamide
CID 87300563
azane;2-methylidenepent-4-enamide
CID 87195427
azanium but-3-enoate
CID 87111540
sodium;ethenesulfonate;N-ethenylacetamide
CID 23715190

Frequently Asked Questions

What is the IUPAC name of but-3-enamide;ethenesulfonate?
The IUPAC name of but-3-enamide;ethenesulfonate (CID 86736729) is but-3-enamide;ethenesulfonate.
What is the SMILES notation for but-3-enamide;ethenesulfonate?
The canonical SMILES for but-3-enamide;ethenesulfonate is C=CCC(N)=O.C=CS(=O)(=O)[O-].
What is the InChIKey of but-3-enamide;ethenesulfonate?
The InChIKey is ORJJHGUOCLFJSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO.C2H4O3S/c1-2-3-4(5)6;1-2-6(3,4)5/h2H,1,3H2,(H2,5,6);2H,1H2,(H,3,4,5)/p-1.
What are the key properties of but-3-enamide;ethenesulfonate?
but-3-enamide;ethenesulfonate has a molecular weight of 192.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enamide;ethenesulfonate is sourced from PubChem (CID 86736729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).