ethyl morpholine-4-sulfonate

C6H13NO4S — CID 57054465

IUPACethyl morpholine-4-sulfonate
SMILESCCOS(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H13NO4S/c1-2-11-12(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyIPDYHRYIRALIMU-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.40
Rot. Bonds3

About ethyl morpholine-4-sulfonate

ethyl morpholine-4-sulfonate (PubChem CID 57054465) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is ethyl morpholine-4-sulfonate.

Molecular Properties

Compound Nameethyl morpholine-4-sulfonate
PubChem CID57054465
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Nameethyl morpholine-4-sulfonate
SMILESCCOS(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H13NO4S/c1-2-11-12(8,9)7-3-5-10-6-4-7/h2-6H2,1H3
InChIKeyIPDYHRYIRALIMU-UHFFFAOYSA-N
XLogP-0.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl morpholine-4-sulfonate?
The IUPAC name of ethyl morpholine-4-sulfonate (CID 57054465) is ethyl morpholine-4-sulfonate.
What is the SMILES notation for ethyl morpholine-4-sulfonate?
The canonical SMILES for ethyl morpholine-4-sulfonate is CCOS(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl morpholine-4-sulfonate?
The InChIKey is IPDYHRYIRALIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-11-12(8,9)7-3-5-10-6-4-7/h2-6H2,1H3.
What are the key properties of ethyl morpholine-4-sulfonate?
ethyl morpholine-4-sulfonate has a molecular weight of 195.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl morpholine-4-sulfonate is sourced from PubChem (CID 57054465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).