2-hydroxyethanesulfonic acid;morpholine

C6H15NO5S — CID 89422064

IUPAC2-hydroxyethanesulfonic acid;morpholine
SMILESC1COCCN1.O=S(=O)(O)CCO
InChIInChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;3-1-2-7(4,5)6/h5H,1-4H2;3H,1-2H2,(H,4,5,6)
InChIKeyJHGHGVSMGWJGBT-UHFFFAOYSA-N
MW213.25 g/mol
LogP-1.53
Rot. Bonds2

About 2-hydroxyethanesulfonic acid;morpholine

2-hydroxyethanesulfonic acid;morpholine (PubChem CID 89422064) has the molecular formula C6H15NO5S and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-hydroxyethanesulfonic acid;morpholine.

Molecular Properties

Compound Name2-hydroxyethanesulfonic acid;morpholine
PubChem CID89422064
Molecular FormulaC6H15NO5S
Molecular Weight213.25 g/mol
Exact Mass213.07
IUPAC Name2-hydroxyethanesulfonic acid;morpholine
SMILESC1COCCN1.O=S(=O)(O)CCO
InChIInChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;3-1-2-7(4,5)6/h5H,1-4H2;3H,1-2H2,(H,4,5,6)
InChIKeyJHGHGVSMGWJGBT-UHFFFAOYSA-N
XLogP-1.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
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-hydroxyethanesulfonic acid;morpholine?
The IUPAC name of 2-hydroxyethanesulfonic acid;morpholine (CID 89422064) is 2-hydroxyethanesulfonic acid;morpholine.
What is the SMILES notation for 2-hydroxyethanesulfonic acid;morpholine?
The canonical SMILES for 2-hydroxyethanesulfonic acid;morpholine is C1COCCN1.O=S(=O)(O)CCO.
What is the InChIKey of 2-hydroxyethanesulfonic acid;morpholine?
The InChIKey is JHGHGVSMGWJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6O4S/c1-3-6-4-2-5-1;3-1-2-7(4,5)6/h5H,1-4H2;3H,1-2H2,(H,4,5,6).
What are the key properties of 2-hydroxyethanesulfonic acid;morpholine?
2-hydroxyethanesulfonic acid;morpholine has a molecular weight of 213.25 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethanesulfonic acid;morpholine is sourced from PubChem (CID 89422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).