2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate

C11H22NO7S- — CID 153475375

IUPAC2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate
SMILESCOCCOCOC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C11H23NO7S/c1-16-6-7-18-10-19-11(9-20(13,14)15)8-12-2-4-17-5-3-12/h11H,2-10H2,1H3,(H,13,14,15)/p-1
InChIKeyQSCAGLDAPNSIJO-UHFFFAOYSA-M
MW312.36 g/mol
LogP-1.13
Rot. Bonds10

About 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate

2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate (PubChem CID 153475375) has the molecular formula C11H22NO7S- and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate
PubChem CID153475375
Molecular FormulaC11H22NO7S-
Molecular Weight312.36 g/mol
Exact Mass312.11
IUPAC Name2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate
SMILESCOCCOCOC(CN1CCOCC1)CS(=O)(=O)[O-]
InChIInChI=1S/C11H23NO7S/c1-16-6-7-18-10-19-11(9-20(13,14)15)8-12-2-4-17-5-3-12/h11H,2-10H2,1H3,(H,13,14,15)/p-1
InChIKeyQSCAGLDAPNSIJO-UHFFFAOYSA-M
XLogP-1.13
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropane-1-sulfonate
CID 153475374
3-morpholin-4-yl-2-prop-2-enoyloxypropane-1-sulfonate
CID 153475395
2-(4-methylcyclohexanecarbonyl)oxy-3-morpholin-4-ylpropane-1-sulfonate
CID 153475401
3-morpholin-4-yl-2-[(E)-non-2-enoyl]oxypropane-1-sulfonate
CID 153475400
2-(4-methoxybutanoyloxy)-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040801
2-hexoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040791
2-decoxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040794
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholine
CID 162771703
2-(1H-indene-1-carbonyloxy)-3-morpholin-4-ylpropane-1-sulfonate
CID 153475448
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
4-methoxy-2-(morpholin-4-ylmethyl)butan-1-ol
CID 117236832

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate (CID 153475375) is 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate is COCCOCOC(CN1CCOCC1)CS(=O)(=O)[O-].
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate?
The InChIKey is QSCAGLDAPNSIJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23NO7S/c1-16-6-7-18-10-19-11(9-20(13,14)15)8-12-2-4-17-5-3-12/h11H,2-10H2,1H3,(H,13,14,15)/p-1.
What are the key properties of 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate?
2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate has a molecular weight of 312.36 g/mol, XLogP of -1.13, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-3-morpholin-4-ylpropane-1-sulfonate is sourced from PubChem (CID 153475375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).