hydrogen sulfate;4-methylmorpholin-4-ium

C5H13NO5S — CID 141027187

IUPAChydrogen sulfate;4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1.O=S(=O)([O-])O
InChIInChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyHDXZHVQQAPFPJT-UHFFFAOYSA-N
MW199.23 g/mol
LogP-2.46
Rot. Bonds

About hydrogen sulfate;4-methylmorpholin-4-ium

hydrogen sulfate;4-methylmorpholin-4-ium (PubChem CID 141027187) has the molecular formula C5H13NO5S and a molecular weight of 199.23 g/mol. Its IUPAC name is hydrogen sulfate;4-methylmorpholin-4-ium.

Molecular Properties

Compound Namehydrogen sulfate;4-methylmorpholin-4-ium
PubChem CID141027187
Molecular FormulaC5H13NO5S
Molecular Weight199.23 g/mol
Exact Mass199.05
IUPAC Namehydrogen sulfate;4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1.O=S(=O)([O-])O
InChIInChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4)
InChIKeyHDXZHVQQAPFPJT-UHFFFAOYSA-N
XLogP-2.46
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-2.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydrogen sulfate;4-methylmorpholin-4-ium 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 hydrogen sulfate;4-methylmorpholin-4-ium?
The IUPAC name of hydrogen sulfate;4-methylmorpholin-4-ium (CID 141027187) is hydrogen sulfate;4-methylmorpholin-4-ium.
What is the SMILES notation for hydrogen sulfate;4-methylmorpholin-4-ium?
The canonical SMILES for hydrogen sulfate;4-methylmorpholin-4-ium is C[NH+]1CCOCC1.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;4-methylmorpholin-4-ium?
The InChIKey is HDXZHVQQAPFPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2O4S/c1-6-2-4-7-5-3-6;1-5(2,3)4/h2-5H2,1H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;4-methylmorpholin-4-ium?
hydrogen sulfate;4-methylmorpholin-4-ium has a molecular weight of 199.23 g/mol, XLogP of -2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;4-methylmorpholin-4-ium is sourced from PubChem (CID 141027187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).