2-methylprop-2-enamide;propane-1-sulfonic acid

C7H15NO4S — CID 22719384

IUPAC2-methylprop-2-enamide;propane-1-sulfonic acid
SMILESC=C(C)C(N)=O.CCCS(=O)(=O)O
InChIInChI=1S/C4H7NO.C3H8O3S/c1-3(2)4(5)6;1-2-3-7(4,5)6/h1H2,2H3,(H2,5,6);2-3H2,1H3,(H,4,5,6)
InChIKeyFVSAFCHCUDOKSI-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.33
Rot. Bonds3

About 2-methylprop-2-enamide;propane-1-sulfonic acid

2-methylprop-2-enamide;propane-1-sulfonic acid (PubChem CID 22719384) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methylprop-2-enamide;propane-1-sulfonic acid.

Molecular Properties

Compound Name2-methylprop-2-enamide;propane-1-sulfonic acid
PubChem CID22719384
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-methylprop-2-enamide;propane-1-sulfonic acid
SMILESC=C(C)C(N)=O.CCCS(=O)(=O)O
InChIInChI=1S/C4H7NO.C3H8O3S/c1-3(2)4(5)6;1-2-3-7(4,5)6/h1H2,2H3,(H2,5,6);2-3H2,1H3,(H,4,5,6)
InChIKeyFVSAFCHCUDOKSI-UHFFFAOYSA-N
XLogP0.33
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.33
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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Related Compounds

2-methylprop-2-enamide;propane-1-sulfonic acid;prop-2-enenitrile
CID 174849605
potassium;2-methylprop-2-enoate;propane-1-sulfonic acid
CID 175419913
hydrazine;propane-1-sulfonic acid
CID 159325511
CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
azane;2-hydroxyethyl 2-methylprop-2-enoate;propane-1-sulfonic acid
CID 174612493
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
sodium;dodecane;ethanesulfonic acid;2-methylprop-2-enamide
CID 87258662
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
lithium;propane-1-sulfonic acid;prop-2-enoylazanide
CID 160905808
2-methylpropane-2-sulfonic acid;2-methylprop-2-enamide
CID 22495091
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;propane-1-sulfonic acid?
The IUPAC name of 2-methylprop-2-enamide;propane-1-sulfonic acid (CID 22719384) is 2-methylprop-2-enamide;propane-1-sulfonic acid.
What is the SMILES notation for 2-methylprop-2-enamide;propane-1-sulfonic acid?
The canonical SMILES for 2-methylprop-2-enamide;propane-1-sulfonic acid is C=C(C)C(N)=O.CCCS(=O)(=O)O.
What is the InChIKey of 2-methylprop-2-enamide;propane-1-sulfonic acid?
The InChIKey is FVSAFCHCUDOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H8O3S/c1-3(2)4(5)6;1-2-3-7(4,5)6/h1H2,2H3,(H2,5,6);2-3H2,1H3,(H,4,5,6).
What are the key properties of 2-methylprop-2-enamide;propane-1-sulfonic acid?
2-methylprop-2-enamide;propane-1-sulfonic acid has a molecular weight of 209.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;propane-1-sulfonic acid is sourced from PubChem (CID 22719384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).