ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate

C9H19NO4S — CID 174689274

IUPACethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate
SMILESCCOS(=O)(=O)C1CC(CCO)CCN1
InChIInChI=1S/C9H19NO4S/c1-2-14-15(12,13)9-7-8(4-6-11)3-5-10-9/h8-11H,2-7H2,1H3
InChIKeyWELNMUPRZZLFHH-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.06
Rot. Bonds5

About ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate

ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate (PubChem CID 174689274) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate
PubChem CID174689274
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nameethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate
SMILESCCOS(=O)(=O)C1CC(CCO)CCN1
InChIInChI=1S/C9H19NO4S/c1-2-14-15(12,13)9-7-8(4-6-11)3-5-10-9/h8-11H,2-7H2,1H3
InChIKeyWELNMUPRZZLFHH-UHFFFAOYSA-N
XLogP0.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate?
The IUPAC name of ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate (CID 174689274) is ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate.
What is the SMILES notation for ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate?
The canonical SMILES for ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate is CCOS(=O)(=O)C1CC(CCO)CCN1.
What is the InChIKey of ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate?
The InChIKey is WELNMUPRZZLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-2-14-15(12,13)9-7-8(4-6-11)3-5-10-9/h8-11H,2-7H2,1H3.
What are the key properties of ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate?
ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate has a molecular weight of 237.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyethyl)piperidine-2-sulfonate is sourced from PubChem (CID 174689274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).