hydroxymethylazanium;sulfate

C2H12N2O6S — CID 161009547

IUPAChydroxymethylazanium;sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CO.[NH3+]CO
InChIInChI=1S/2CH5NO.H2O4S/c2*2-1-3;1-5(2,3)4/h2*3H,1-2H2;(H2,1,2,3,4)
InChIKeyYJUULABNCRYFGP-UHFFFAOYSA-N
MW192.19 g/mol
LogP-4.98
Rot. Bonds

About hydroxymethylazanium;sulfate

hydroxymethylazanium;sulfate (PubChem CID 161009547) has the molecular formula C2H12N2O6S and a molecular weight of 192.19 g/mol. Its IUPAC name is hydroxymethylazanium;sulfate.

Molecular Properties

Compound Namehydroxymethylazanium;sulfate
PubChem CID161009547
Molecular FormulaC2H12N2O6S
Molecular Weight192.19 g/mol
Exact Mass192.04
IUPAC Namehydroxymethylazanium;sulfate
SMILESO=S(=O)([O-])[O-].[NH3+]CO.[NH3+]CO
InChIInChI=1S/2CH5NO.H2O4S/c2*2-1-3;1-5(2,3)4/h2*3H,1-2H2;(H2,1,2,3,4)
InChIKeyYJUULABNCRYFGP-UHFFFAOYSA-N
XLogP-4.98
TPSA176.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-4.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze hydroxymethylazanium;sulfate with MolForge

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

Launch Full Analysis

Related Compounds

dilithium;ethane-1,2-diol;sulfate
CID 162076441
lithium;hydroxyazanium;sulfate
CID 139064348
2-azaniumylethylazanium;iron(2+);disulfate
CID 11289852
diazanium;ethane-1,2-diol;sulfate
CID 21328662
disodium;ethane-1,2-diol;sulfate
CID 158719389
azanium;hydroxyazanium;sulfate
CID 23041852
antimony(3+);molybdenum(4+);trisulfate
CID 172694706
hexadecasilver;octasulfate
CID 174664647
5-azaniumylpentylazanium sulfate
CID 159934938
azanium;ethanol;iron;sulfate
CID 167432398
lithium;silver;sulfuric acid;sulfate
CID 158234411
CID 23615458
CID 23615458

Frequently Asked Questions

What is the IUPAC name of hydroxymethylazanium;sulfate?
The IUPAC name of hydroxymethylazanium;sulfate (CID 161009547) is hydroxymethylazanium;sulfate.
What is the SMILES notation for hydroxymethylazanium;sulfate?
The canonical SMILES for hydroxymethylazanium;sulfate is O=S(=O)([O-])[O-].[NH3+]CO.[NH3+]CO.
What is the InChIKey of hydroxymethylazanium;sulfate?
The InChIKey is YJUULABNCRYFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH5NO.H2O4S/c2*2-1-3;1-5(2,3)4/h2*3H,1-2H2;(H2,1,2,3,4).
What are the key properties of hydroxymethylazanium;sulfate?
hydroxymethylazanium;sulfate has a molecular weight of 192.19 g/mol, XLogP of -4.98, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylazanium;sulfate is sourced from PubChem (CID 161009547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).