(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate

C9H19NO4S — CID 159311966

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate
SMILESCC1(C)CCCC(C)(C)N1OS(=O)(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)6-5-7-9(3,4)10(8)14-15(11,12)13/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyLCQVYXDEYQWBKY-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.76
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate

(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate (PubChem CID 159311966) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate
PubChem CID159311966
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate
SMILESCC1(C)CCCC(C)(C)N1OS(=O)(=O)O
InChIInChI=1S/C9H19NO4S/c1-8(2)6-5-7-9(3,4)10(8)14-15(11,12)13/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyLCQVYXDEYQWBKY-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate (CID 159311966) is (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate is CC1(C)CCCC(C)(C)N1OS(=O)(=O)O.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate?
The InChIKey is LCQVYXDEYQWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-8(2)6-5-7-9(3,4)10(8)14-15(11,12)13/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate?
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate has a molecular weight of 237.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) hydrogen sulfate is sourced from PubChem (CID 159311966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).