hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide

C9H21INO5S- — CID 87935628

IUPAChydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide
SMILESCC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O.[I-]
InChIInChI=1S/C9H19NO.HI.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;;1-5(2,3)4/h11H,5-7H2,1-4H3;1H;(H2,1,2,3,4)/p-1
InChIKeyHITKLCOBMRBASI-UHFFFAOYSA-M
MW382.24 g/mol
LogP-2.99
Rot. Bonds

About hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide

hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide (PubChem CID 87935628) has the molecular formula C9H21INO5S- and a molecular weight of 382.24 g/mol. Its IUPAC name is hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide.

Molecular Properties

Compound Namehydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide
PubChem CID87935628
Molecular FormulaC9H21INO5S-
Molecular Weight382.24 g/mol
Exact Mass382.02
IUPAC Namehydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide
SMILESCC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O.[I-]
InChIInChI=1S/C9H19NO.HI.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;;1-5(2,3)4/h11H,5-7H2,1-4H3;1H;(H2,1,2,3,4)/p-1
InChIKeyHITKLCOBMRBASI-UHFFFAOYSA-M
XLogP-2.99
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 5-2.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide 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;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide?
The IUPAC name of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide (CID 87935628) is hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide.
What is the SMILES notation for hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide?
The canonical SMILES for hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide is CC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O.[I-].
What is the InChIKey of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide?
The InChIKey is HITKLCOBMRBASI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO.HI.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;;1-5(2,3)4/h11H,5-7H2,1-4H3;1H;(H2,1,2,3,4)/p-1.
What are the key properties of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide?
hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide has a molecular weight of 382.24 g/mol, XLogP of -2.99, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium;iodide is sourced from PubChem (CID 87935628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).