2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid

C6H13NO5S — CID 156612923

IUPAC2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCO[C@H](O)C1
InChIInChI=1S/C6H13NO5S/c8-6-5-7(1-3-12-6)2-4-13(9,10)11/h6,8H,1-5H2,(H,9,10,11)/t6-/m0/s1
InChIKeyRSJPOAKQWRIMJE-LURJTMIESA-N
MW211.24 g/mol
LogP-1.48
Rot. Bonds3

About 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid

2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid (PubChem CID 156612923) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid.

Molecular Properties

Compound Name2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid
PubChem CID156612923
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCO[C@H](O)C1
InChIInChI=1S/C6H13NO5S/c8-6-5-7(1-3-12-6)2-4-13(9,10)11/h6,8H,1-5H2,(H,9,10,11)/t6-/m0/s1
InChIKeyRSJPOAKQWRIMJE-LURJTMIESA-N
XLogP-1.48
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid?
The IUPAC name of 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid (CID 156612923) is 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid.
What is the SMILES notation for 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid?
The canonical SMILES for 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid is O=S(=O)(O)CCN1CCO[C@H](O)C1.
What is the InChIKey of 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid?
The InChIKey is RSJPOAKQWRIMJE-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO5S/c8-6-5-7(1-3-12-6)2-4-13(9,10)11/h6,8H,1-5H2,(H,9,10,11)/t6-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid?
2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid has a molecular weight of 211.24 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxymorpholin-4-yl]ethanesulfonic acid is sourced from PubChem (CID 156612923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).