2-(2-oxomorpholin-4-yl)ethyl methanesulfonate

C7H13NO5S — CID 15287412

IUPAC2-(2-oxomorpholin-4-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCN1CCOC(=O)C1
InChIInChI=1S/C7H13NO5S/c1-14(10,11)13-5-3-8-2-4-12-7(9)6-8/h2-6H2,1H3
InChIKeyIEINQBJDGSSQNK-UHFFFAOYSA-N
MW223.25 g/mol
LogP-1.18
Rot. Bonds4

About 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate

2-(2-oxomorpholin-4-yl)ethyl methanesulfonate (PubChem CID 15287412) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-oxomorpholin-4-yl)ethyl methanesulfonate
PubChem CID15287412
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-(2-oxomorpholin-4-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCN1CCOC(=O)C1
InChIInChI=1S/C7H13NO5S/c1-14(10,11)13-5-3-8-2-4-12-7(9)6-8/h2-6H2,1H3
InChIKeyIEINQBJDGSSQNK-UHFFFAOYSA-N
XLogP-1.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethyl methanesulfonate
CID 89034076
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
(2-oxo-1,3-oxazolidin-3-yl)methyl methanesulfonate
CID 23039942
3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
CID 159603618
methanesulfonyl chloride;2-(2-morpholin-4-ylethoxy)ethanol;2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 161173837
4-[2-(4-oxo-1,3,6-dioxazocan-6-yl)ethyl]morpholine-2,6-dione
CID 144946774
7,16,25-trimethyl-1,4,10,13,19,22-hexaoxa-7,16,25-triazacycloheptacosane-5,9,14,18,23,27-hexone
CID 100941710
4-(2-methoxyethyl)morpholine-2,6-dione
CID 63779036
2-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]ethyl methanesulfonate
CID 21078139
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
3-morpholin-4-ylbutyl methanesulfonate
CID 54519605
ethyl methanesulfonate;hydrofluoride
CID 174826290

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate?
The IUPAC name of 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate (CID 15287412) is 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate is CS(=O)(=O)OCCN1CCOC(=O)C1.
What is the InChIKey of 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate?
The InChIKey is IEINQBJDGSSQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-14(10,11)13-5-3-8-2-4-12-7(9)6-8/h2-6H2,1H3.
What are the key properties of 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate?
2-(2-oxomorpholin-4-yl)ethyl methanesulfonate has a molecular weight of 223.25 g/mol, XLogP of -1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxomorpholin-4-yl)ethyl methanesulfonate is sourced from PubChem (CID 15287412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).