ethyl 2-methylmorpholine-4-sulfonate

C7H15NO4S — CID 87535337

IUPACethyl 2-methylmorpholine-4-sulfonate
SMILESCCOS(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C7H15NO4S/c1-3-12-13(9,10)8-4-5-11-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyUGKQQQHDSGHOCE-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds3

About ethyl 2-methylmorpholine-4-sulfonate

ethyl 2-methylmorpholine-4-sulfonate (PubChem CID 87535337) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is ethyl 2-methylmorpholine-4-sulfonate.

Molecular Properties

Compound Nameethyl 2-methylmorpholine-4-sulfonate
PubChem CID87535337
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Nameethyl 2-methylmorpholine-4-sulfonate
SMILESCCOS(=O)(=O)N1CCOC(C)C1
InChIInChI=1S/C7H15NO4S/c1-3-12-13(9,10)8-4-5-11-7(2)6-8/h7H,3-6H2,1-2H3
InChIKeyUGKQQQHDSGHOCE-UHFFFAOYSA-N
XLogP-0.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylmorpholine-4-sulfonate?
The IUPAC name of ethyl 2-methylmorpholine-4-sulfonate (CID 87535337) is ethyl 2-methylmorpholine-4-sulfonate.
What is the SMILES notation for ethyl 2-methylmorpholine-4-sulfonate?
The canonical SMILES for ethyl 2-methylmorpholine-4-sulfonate is CCOS(=O)(=O)N1CCOC(C)C1.
What is the InChIKey of ethyl 2-methylmorpholine-4-sulfonate?
The InChIKey is UGKQQQHDSGHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-12-13(9,10)8-4-5-11-7(2)6-8/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methylmorpholine-4-sulfonate?
ethyl 2-methylmorpholine-4-sulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylmorpholine-4-sulfonate is sourced from PubChem (CID 87535337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).