2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid

C16H26N2O4S — CID 59844659

IUPAC2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid
SMILESCC1(C)CC(NCOc2ccccc2S(=O)(=O)O)CC(C)(C)N1
InChIInChI=1S/C16H26N2O4S/c1-15(2)9-12(10-16(3,4)18-15)17-11-22-13-7-5-6-8-14(13)23(19,20)21/h5-8,12,17-18H,9-11H2,1-4H3,(H,19,20,21)
InChIKeyFPTHQAWBEMNXDX-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.17
Rot. Bonds5

About 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid

2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid (PubChem CID 59844659) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid.

Molecular Properties

Compound Name2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid
PubChem CID59844659
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid
SMILESCC1(C)CC(NCOc2ccccc2S(=O)(=O)O)CC(C)(C)N1
InChIInChI=1S/C16H26N2O4S/c1-15(2)9-12(10-16(3,4)18-15)17-11-22-13-7-5-6-8-14(13)23(19,20)21/h5-8,12,17-18H,9-11H2,1-4H3,(H,19,20,21)
InChIKeyFPTHQAWBEMNXDX-UHFFFAOYSA-N
XLogP2.17
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid?
The IUPAC name of 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid (CID 59844659) is 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid.
What is the SMILES notation for 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid?
The canonical SMILES for 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid is CC1(C)CC(NCOc2ccccc2S(=O)(=O)O)CC(C)(C)N1.
What is the InChIKey of 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid?
The InChIKey is FPTHQAWBEMNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-15(2)9-12(10-16(3,4)18-15)17-11-22-13-7-5-6-8-14(13)23(19,20)21/h5-8,12,17-18H,9-11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid?
2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid has a molecular weight of 342.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methoxy]benzenesulfonic acid is sourced from PubChem (CID 59844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).