azanium 2-methylprop-2-ene-1-sulfonate

C4H11NO3S — CID 21188244

IUPACazanium 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C4H8O3S.H3N/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);1H3
InChIKeyYBPOEDKYWDVVTP-UHFFFAOYSA-N
MW153.20 g/mol
LogP0.48
Rot. Bonds2

About azanium 2-methylprop-2-ene-1-sulfonate

azanium 2-methylprop-2-ene-1-sulfonate (PubChem CID 21188244) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is azanium 2-methylprop-2-ene-1-sulfonate.

Molecular Properties

Compound Nameazanium 2-methylprop-2-ene-1-sulfonate
PubChem CID21188244
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Nameazanium 2-methylprop-2-ene-1-sulfonate
SMILESC=C(C)CS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C4H8O3S.H3N/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);1H3
InChIKeyYBPOEDKYWDVVTP-UHFFFAOYSA-N
XLogP0.48
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium 2-methylprop-2-ene-1-sulfonate?
The IUPAC name of azanium 2-methylprop-2-ene-1-sulfonate (CID 21188244) is azanium 2-methylprop-2-ene-1-sulfonate.
What is the SMILES notation for azanium 2-methylprop-2-ene-1-sulfonate?
The canonical SMILES for azanium 2-methylprop-2-ene-1-sulfonate is C=C(C)CS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-methylprop-2-ene-1-sulfonate?
The InChIKey is YBPOEDKYWDVVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S.H3N/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);1H3.
What are the key properties of azanium 2-methylprop-2-ene-1-sulfonate?
azanium 2-methylprop-2-ene-1-sulfonate has a molecular weight of 153.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-methylprop-2-ene-1-sulfonate is sourced from PubChem (CID 21188244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).