2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate

C9H19NO5S — CID 147517503

IUPAC2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCN1CCOCC1
InChIInChI=1S/C9H19NO5S/c1-16(11,12)15-9-8-14-7-4-10-2-5-13-6-3-10/h2-9H2,1H3
InChIKeyFKMXIJZINKIWRA-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.69
Rot. Bonds7

About 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate

2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate (PubChem CID 147517503) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
PubChem CID147517503
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCN1CCOCC1
InChIInChI=1S/C9H19NO5S/c1-16(11,12)15-9-8-14-7-4-10-2-5-13-6-3-10/h2-9H2,1H3
InChIKeyFKMXIJZINKIWRA-UHFFFAOYSA-N
XLogP-0.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonyl chloride;2-(2-morpholin-4-ylethoxy)ethanol;2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 161173837
2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethyl methanesulfonate
CID 89034076
3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
CID 159603618
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
2-[2-[2-[16-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethoxy]ethoxy]ethanamine
CID 11060427
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619
4-(2-hexoxyethyl)morpholine
CID 3326674
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate (CID 147517503) is 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate is CS(=O)(=O)OCCOCCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate?
The InChIKey is FKMXIJZINKIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-16(11,12)15-9-8-14-7-4-10-2-5-13-6-3-10/h2-9H2,1H3.
What are the key properties of 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate?
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate has a molecular weight of 253.32 g/mol, XLogP of -0.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate is sourced from PubChem (CID 147517503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).