ethenesulfonic acid;prop-2-enamide

C5H9NO4S — CID 18671153

IUPACethenesulfonic acid;prop-2-enamide
SMILESC=CC(N)=O.C=CS(=O)(=O)O
InChIInChI=1S/C3H5NO.C2H4O3S/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5)
InChIKeyITOFYQRCSABKPK-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.32
Rot. Bonds2

About ethenesulfonic acid;prop-2-enamide

ethenesulfonic acid;prop-2-enamide (PubChem CID 18671153) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is ethenesulfonic acid;prop-2-enamide.

Molecular Properties

Compound Nameethenesulfonic acid;prop-2-enamide
PubChem CID18671153
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Nameethenesulfonic acid;prop-2-enamide
SMILESC=CC(N)=O.C=CS(=O)(=O)O
InChIInChI=1S/C3H5NO.C2H4O3S/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5)
InChIKeyITOFYQRCSABKPK-UHFFFAOYSA-N
XLogP-0.32
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenesulfonic acid;prop-2-enamide?
The IUPAC name of ethenesulfonic acid;prop-2-enamide (CID 18671153) is ethenesulfonic acid;prop-2-enamide.
What is the SMILES notation for ethenesulfonic acid;prop-2-enamide?
The canonical SMILES for ethenesulfonic acid;prop-2-enamide is C=CC(N)=O.C=CS(=O)(=O)O.
What is the InChIKey of ethenesulfonic acid;prop-2-enamide?
The InChIKey is ITOFYQRCSABKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C2H4O3S/c1-2-3(4)5;1-2-6(3,4)5/h2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5).
What are the key properties of ethenesulfonic acid;prop-2-enamide?
ethenesulfonic acid;prop-2-enamide has a molecular weight of 179.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfonic acid;prop-2-enamide is sourced from PubChem (CID 18671153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).