but-2-enamide;methanesulfonic acid

C6H15NO7S2 — CID 175318225

IUPACbut-2-enamide;methanesulfonic acid
SMILESCC=CC(N)=O.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C4H7NO.2CH4O3S/c1-2-3-4(5)6;2*1-5(2,3)4/h2-3H,1H3,(H2,5,6);2*1H3,(H,2,3,4)
InChIKeyOXRVFNVVZUGQFM-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.94
Rot. Bonds1

About but-2-enamide;methanesulfonic acid

but-2-enamide;methanesulfonic acid (PubChem CID 175318225) has the molecular formula C6H15NO7S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is but-2-enamide;methanesulfonic acid.

Molecular Properties

Compound Namebut-2-enamide;methanesulfonic acid
PubChem CID175318225
Molecular FormulaC6H15NO7S2
Molecular Weight277.32 g/mol
Exact Mass277.03
IUPAC Namebut-2-enamide;methanesulfonic acid
SMILESCC=CC(N)=O.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C4H7NO.2CH4O3S/c1-2-3-4(5)6;2*1-5(2,3)4/h2-3H,1H3,(H2,5,6);2*1H3,(H,2,3,4)
InChIKeyOXRVFNVVZUGQFM-UHFFFAOYSA-N
XLogP-0.94
TPSA151.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 but-2-enamide;methanesulfonic acid?
The IUPAC name of but-2-enamide;methanesulfonic acid (CID 175318225) is but-2-enamide;methanesulfonic acid.
What is the SMILES notation for but-2-enamide;methanesulfonic acid?
The canonical SMILES for but-2-enamide;methanesulfonic acid is CC=CC(N)=O.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of but-2-enamide;methanesulfonic acid?
The InChIKey is OXRVFNVVZUGQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.2CH4O3S/c1-2-3-4(5)6;2*1-5(2,3)4/h2-3H,1H3,(H2,5,6);2*1H3,(H,2,3,4).
What are the key properties of but-2-enamide;methanesulfonic acid?
but-2-enamide;methanesulfonic acid has a molecular weight of 277.32 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enamide;methanesulfonic acid is sourced from PubChem (CID 175318225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).