methyl 2-morpholin-4-ylethanesulfonate

C7H15NO4S — CID 15145735

IUPACmethyl 2-morpholin-4-ylethanesulfonate
SMILESCOS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-11-13(9,10)7-4-8-2-5-12-6-3-8/h2-7H2,1H3
InChIKeyXJKJMOYALPAEDO-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.71
Rot. Bonds4

About methyl 2-morpholin-4-ylethanesulfonate

methyl 2-morpholin-4-ylethanesulfonate (PubChem CID 15145735) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl 2-morpholin-4-ylethanesulfonate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-ylethanesulfonate
PubChem CID15145735
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Namemethyl 2-morpholin-4-ylethanesulfonate
SMILESCOS(=O)(=O)CCN1CCOCC1
InChIInChI=1S/C7H15NO4S/c1-11-13(9,10)7-4-8-2-5-12-6-3-8/h2-7H2,1H3
InChIKeyXJKJMOYALPAEDO-UHFFFAOYSA-N
XLogP-0.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
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 methyl 2-morpholin-4-ylethanesulfonate?
The IUPAC name of methyl 2-morpholin-4-ylethanesulfonate (CID 15145735) is methyl 2-morpholin-4-ylethanesulfonate.
What is the SMILES notation for methyl 2-morpholin-4-ylethanesulfonate?
The canonical SMILES for methyl 2-morpholin-4-ylethanesulfonate is COS(=O)(=O)CCN1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-ylethanesulfonate?
The InChIKey is XJKJMOYALPAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-11-13(9,10)7-4-8-2-5-12-6-3-8/h2-7H2,1H3.
What are the key properties of methyl 2-morpholin-4-ylethanesulfonate?
methyl 2-morpholin-4-ylethanesulfonate has a molecular weight of 209.27 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-ylethanesulfonate is sourced from PubChem (CID 15145735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).