bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate

C18H36N2O6S — CID 20605346

IUPACbis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
SMILESCC1(C)CC(OS(=O)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C18H36N2O6S/c1-15(2)9-13(10-16(3,4)19(15)21)25-27(23,24)26-14-11-17(5,6)20(22)18(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3
InChIKeyYKJSRLKXQSHLNX-UHFFFAOYSA-N
MW408.56 g/mol
LogP3.09
Rot. Bonds4

About bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate (PubChem CID 20605346) has the molecular formula C18H36N2O6S and a molecular weight of 408.56 g/mol. Its IUPAC name is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate.

Molecular Properties

Compound Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
PubChem CID20605346
Molecular FormulaC18H36N2O6S
Molecular Weight408.56 g/mol
Exact Mass408.23
IUPAC Namebis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate
SMILESCC1(C)CC(OS(=O)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C18H36N2O6S/c1-15(2)9-13(10-16(3,4)19(15)21)25-27(23,24)26-14-11-17(5,6)20(22)18(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3
InChIKeyYKJSRLKXQSHLNX-UHFFFAOYSA-N
XLogP3.09
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The IUPAC name of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate (CID 20605346) is bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate.
What is the SMILES notation for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The canonical SMILES for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate is CC1(C)CC(OS(=O)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
The InChIKey is YKJSRLKXQSHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O6S/c1-15(2)9-13(10-16(3,4)19(15)21)25-27(23,24)26-14-11-17(5,6)20(22)18(7,8)12-14/h13-14,21-22H,9-12H2,1-8H3.
What are the key properties of bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate?
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate has a molecular weight of 408.56 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) sulfate is sourced from PubChem (CID 20605346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).