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

C9H21NO5S — CID 66868118

IUPAChydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O
InChIInChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeySAZGBCPZJFYNOX-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.01
Rot. Bonds

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

hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium (PubChem CID 66868118) has the molecular formula C9H21NO5S and a molecular weight of 255.34 g/mol. Its IUPAC name is hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium.

Molecular Properties

Compound Namehydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
PubChem CID66868118
Molecular FormulaC9H21NO5S
Molecular Weight255.34 g/mol
Exact Mass255.11
IUPAC Namehydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O
InChIInChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeySAZGBCPZJFYNOX-UHFFFAOYSA-N
XLogP0.01
TPSA102.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The IUPAC name of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium (CID 66868118) is hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium.
What is the SMILES notation for hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The canonical SMILES for hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium is CC1(C)CCCC(C)(C)[NH+]1O.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
The InChIKey is SAZGBCPZJFYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.H2O4S/c1-8(2)6-5-7-9(3,4)10(8)11;1-5(2,3)4/h11H,5-7H2,1-4H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium?
hydrogen sulfate;1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium has a molecular weight of 255.34 g/mol, XLogP of 0.01, 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 is sourced from PubChem (CID 66868118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).