methanesulfonate;prop-2-enylazanium

C4H11NO3S — CID 87286063

IUPACmethanesulfonate;prop-2-enylazanium
SMILESC=CC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C3H7N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2H,1,3-4H2;1H3,(H,2,3,4)
InChIKeyIYOFHXBWZYWKRG-UHFFFAOYSA-N
MW153.20 g/mol
LogP-1.42
Rot. Bonds1

About methanesulfonate;prop-2-enylazanium

methanesulfonate;prop-2-enylazanium (PubChem CID 87286063) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is methanesulfonate;prop-2-enylazanium.

Molecular Properties

Compound Namemethanesulfonate;prop-2-enylazanium
PubChem CID87286063
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Namemethanesulfonate;prop-2-enylazanium
SMILESC=CC[NH3+].CS(=O)(=O)[O-]
InChIInChI=1S/C3H7N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2H,1,3-4H2;1H3,(H,2,3,4)
InChIKeyIYOFHXBWZYWKRG-UHFFFAOYSA-N
XLogP-1.42
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-1.42
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'}

Analyze methanesulfonate;prop-2-enylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;prop-2-enylazanium?
The IUPAC name of methanesulfonate;prop-2-enylazanium (CID 87286063) is methanesulfonate;prop-2-enylazanium.
What is the SMILES notation for methanesulfonate;prop-2-enylazanium?
The canonical SMILES for methanesulfonate;prop-2-enylazanium is C=CC[NH3+].CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;prop-2-enylazanium?
The InChIKey is IYOFHXBWZYWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.CH4O3S/c1-2-3-4;1-5(2,3)4/h2H,1,3-4H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;prop-2-enylazanium?
methanesulfonate;prop-2-enylazanium has a molecular weight of 153.20 g/mol, XLogP of -1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;prop-2-enylazanium is sourced from PubChem (CID 87286063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).