azane;piperidine;sulfuric acid

C5H16N2O4S — CID 122552441

IUPACazane;piperidine;sulfuric acid
SMILESC1CCNCC1.N.O=S(=O)(O)O
InChIInChI=1S/C5H11N.H3N.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H3;(H2,1,2,3,4)
InChIKeyOTFJTTSLIPMCBA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.27
Rot. Bonds

About azane;piperidine;sulfuric acid

azane;piperidine;sulfuric acid (PubChem CID 122552441) has the molecular formula C5H16N2O4S and a molecular weight of 200.26 g/mol. Its IUPAC name is azane;piperidine;sulfuric acid.

Molecular Properties

Compound Nameazane;piperidine;sulfuric acid
PubChem CID122552441
Molecular FormulaC5H16N2O4S
Molecular Weight200.26 g/mol
Exact Mass200.08
IUPAC Nameazane;piperidine;sulfuric acid
SMILESC1CCNCC1.N.O=S(=O)(O)O
InChIInChI=1S/C5H11N.H3N.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H3;(H2,1,2,3,4)
InChIKeyOTFJTTSLIPMCBA-UHFFFAOYSA-N
XLogP0.27
TPSA121.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;piperidine;sulfuric acid 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 azane;piperidine;sulfuric acid?
The IUPAC name of azane;piperidine;sulfuric acid (CID 122552441) is azane;piperidine;sulfuric acid.
What is the SMILES notation for azane;piperidine;sulfuric acid?
The canonical SMILES for azane;piperidine;sulfuric acid is C1CCNCC1.N.O=S(=O)(O)O.
What is the InChIKey of azane;piperidine;sulfuric acid?
The InChIKey is OTFJTTSLIPMCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.H3N.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h6H,1-5H2;1H3;(H2,1,2,3,4).
What are the key properties of azane;piperidine;sulfuric acid?
azane;piperidine;sulfuric acid has a molecular weight of 200.26 g/mol, XLogP of 0.27, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;piperidine;sulfuric acid is sourced from PubChem (CID 122552441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).