sulfuric acid;2,2,6,6-tetramethylpiperidine

C9H21NO4S — CID 21127455

IUPACsulfuric acid;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-8(2)6-5-7-9(3,4)10-8;1-5(2,3)4/h10H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeyVCHWVVXYYIPLOB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds

About sulfuric acid;2,2,6,6-tetramethylpiperidine

sulfuric acid;2,2,6,6-tetramethylpiperidine (PubChem CID 21127455) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is sulfuric acid;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Namesulfuric acid;2,2,6,6-tetramethylpiperidine
PubChem CID21127455
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Namesulfuric acid;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=S(=O)(O)O
InChIInChI=1S/C9H19N.H2O4S/c1-8(2)6-5-7-9(3,4)10-8;1-5(2,3)4/h10H,5-7H2,1-4H3;(H2,1,2,3,4)
InChIKeyVCHWVVXYYIPLOB-UHFFFAOYSA-N
XLogP1.66
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 sulfuric acid;2,2,6,6-tetramethylpiperidine?
The IUPAC name of sulfuric acid;2,2,6,6-tetramethylpiperidine (CID 21127455) is sulfuric acid;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for sulfuric acid;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for sulfuric acid;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;2,2,6,6-tetramethylpiperidine?
The InChIKey is VCHWVVXYYIPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.H2O4S/c1-8(2)6-5-7-9(3,4)10-8;1-5(2,3)4/h10H,5-7H2,1-4H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;2,2,6,6-tetramethylpiperidine?
sulfuric acid;2,2,6,6-tetramethylpiperidine has a molecular weight of 239.34 g/mol, XLogP of 1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 21127455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).