prop-2-enamide;prop-2-ene-1-sulfonic acid

C6H11NO4S — CID 18945831

IUPACprop-2-enamide;prop-2-ene-1-sulfonic acid
SMILESC=CC(N)=O.C=CCS(=O)(=O)O
InChIInChI=1S/C3H5NO.C3H6O3S/c1-2-3(4)5;1-2-3-7(4,5)6/h2H,1H2,(H2,4,5);2H,1,3H2,(H,4,5,6)
InChIKeySGNAPAUUYXAKSX-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.28
Rot. Bonds3

About prop-2-enamide;prop-2-ene-1-sulfonic acid

prop-2-enamide;prop-2-ene-1-sulfonic acid (PubChem CID 18945831) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is prop-2-enamide;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Nameprop-2-enamide;prop-2-ene-1-sulfonic acid
PubChem CID18945831
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Nameprop-2-enamide;prop-2-ene-1-sulfonic acid
SMILESC=CC(N)=O.C=CCS(=O)(=O)O
InChIInChI=1S/C3H5NO.C3H6O3S/c1-2-3(4)5;1-2-3-7(4,5)6/h2H,1H2,(H2,4,5);2H,1,3H2,(H,4,5,6)
InChIKeySGNAPAUUYXAKSX-UHFFFAOYSA-N
XLogP-0.28
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 prop-2-enamide;prop-2-ene-1-sulfonic acid?
The IUPAC name of prop-2-enamide;prop-2-ene-1-sulfonic acid (CID 18945831) is prop-2-enamide;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for prop-2-enamide;prop-2-ene-1-sulfonic acid?
The canonical SMILES for prop-2-enamide;prop-2-ene-1-sulfonic acid is C=CC(N)=O.C=CCS(=O)(=O)O.
What is the InChIKey of prop-2-enamide;prop-2-ene-1-sulfonic acid?
The InChIKey is SGNAPAUUYXAKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H6O3S/c1-2-3(4)5;1-2-3-7(4,5)6/h2H,1H2,(H2,4,5);2H,1,3H2,(H,4,5,6).
What are the key properties of prop-2-enamide;prop-2-ene-1-sulfonic acid?
prop-2-enamide;prop-2-ene-1-sulfonic acid has a molecular weight of 193.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 18945831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).