3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate

C15H32N2O6S — CID 159603618

IUPAC3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
SMILESCS(=O)(=O)OCCCN1CCOCC1.OCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S.C7H15NO2/c1-14(10,11)13-6-2-3-9-4-7-12-8-5-9;9-5-1-2-8-3-6-10-7-4-8/h2-8H2,1H3;9H,1-7H2
InChIKeyMLUMNTBSGAXQLU-UHFFFAOYSA-N
MW368.50 g/mol
LogP-0.61
Rot. Bonds8

About 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate

3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate (PubChem CID 159603618) has the molecular formula C15H32N2O6S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate.

Molecular Properties

Compound Name3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
PubChem CID159603618
Molecular FormulaC15H32N2O6S
Molecular Weight368.50 g/mol
Exact Mass368.20
IUPAC Name3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
SMILESCS(=O)(=O)OCCCN1CCOCC1.OCCCN1CCOCC1
InChIInChI=1S/C8H17NO4S.C7H15NO2/c1-14(10,11)13-6-2-3-9-4-7-12-8-5-9;9-5-1-2-8-3-6-10-7-4-8/h2-8H2,1H3;9H,1-7H2
InChIKeyMLUMNTBSGAXQLU-UHFFFAOYSA-N
XLogP-0.61
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethyl methanesulfonate
CID 89034076
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
methanesulfonyl chloride;2-(2-morpholin-4-ylethoxy)ethanol;2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 161173837
bis(3-morpholin-4-ylpropyl) sulfate
CID 57165221
3-morpholin-4-ylpropyl propane-1-sulfonate
CID 118072969
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
5-(3-morpholin-4-ylpropylamino)pentan-1-ol
CID 62227528
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate?
The IUPAC name of 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate (CID 159603618) is 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate.
What is the SMILES notation for 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate?
The canonical SMILES for 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate is CS(=O)(=O)OCCCN1CCOCC1.OCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate?
The InChIKey is MLUMNTBSGAXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S.C7H15NO2/c1-14(10,11)13-6-2-3-9-4-7-12-8-5-9;9-5-1-2-8-3-6-10-7-4-8/h2-8H2,1H3;9H,1-7H2.
What are the key properties of 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate?
3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate has a molecular weight of 368.50 g/mol, XLogP of -0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate is sourced from PubChem (CID 159603618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).