2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid

C9H19NO4S — CID 139630339

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCCCC1CCO
InChIInChI=1S/C9H19NO4S/c11-7-4-9-3-1-2-5-10(9)6-8-15(12,13)14/h9,11H,1-8H2,(H,12,13,14)
InChIKeyOLJOJNXRRLPXJU-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.11
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid

2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid (PubChem CID 139630339) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid
PubChem CID139630339
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCCCC1CCO
InChIInChI=1S/C9H19NO4S/c11-7-4-9-3-1-2-5-10(9)6-8-15(12,13)14/h9,11H,1-8H2,(H,12,13,14)
InChIKeyOLJOJNXRRLPXJU-UHFFFAOYSA-N
XLogP0.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.11
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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Related Compounds

2-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]ethanol
CID 83060124
3-[2-(2-Hydroxyethyl)piperidin-1-yl]propane-1-sulfonic acid
CID 11976703
2-[Bis(1-hydroxyhexan-2-yl)amino]ethanesulfonic acid
CID 58122632
7-(1,1-Dioxo-1,4-thiazinan-4-yl)heptan-1-ol
CID 58283285
2-[Hexan-2-yl(1-hydroxyhexan-2-yl)amino]ethanesulfonic acid
CID 58502705
hydroxy-[(2R)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten
CID 59075947
hydroxy-[(2S)-1-methylpiperidin-2-yl]methanesulfonic acid;tungsten
CID 59075951
1-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanesulfonic acid
CID 139933135
2-[1-(2-Hydroxyethyl)piperidin-2-yl]ethanesulfonic acid
CID 150409337
2-[1-(2-Aminoethylsulfonyl)piperidin-2-yl]ethanol
CID 16795349
4-(Dimethylamino)-2-hydroxytridecane-1-sulfonic acid
CID 17938286
3-[2-(2-Hydroxyethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 43209558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid (CID 139630339) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid is O=S(=O)(O)CCN1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid?
The InChIKey is OLJOJNXRRLPXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c11-7-4-9-3-1-2-5-10(9)6-8-15(12,13)14/h9,11H,1-8H2,(H,12,13,14).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid?
2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid has a molecular weight of 237.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanesulfonic acid is sourced from PubChem (CID 139630339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).