2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid

C8H17NO4S — CID 11816931

IUPAC2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(O)CN1CCCCC1
InChIInChI=1S/C8H17NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h8,10H,1-7H2,(H,11,12,13)
InChIKeyZZOZOQBIGZZCJO-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.28
Rot. Bonds4

About 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid

2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid (PubChem CID 11816931) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
PubChem CID11816931
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(O)CN1CCCCC1
InChIInChI=1S/C8H17NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h8,10H,1-7H2,(H,11,12,13)
InChIKeyZZOZOQBIGZZCJO-UHFFFAOYSA-N
XLogP-0.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid (CID 11816931) is 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid is O=S(=O)(O)CC(O)CN1CCCCC1.
What is the InChIKey of 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid?
The InChIKey is ZZOZOQBIGZZCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c10-8(7-14(11,12)13)6-9-4-2-1-3-5-9/h8,10H,1-7H2,(H,11,12,13).
What are the key properties of 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid?
2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid has a molecular weight of 223.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-piperidin-1-ylpropane-1-sulfonic acid is sourced from PubChem (CID 11816931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).