bis(3-morpholin-4-ylpropyl) sulfate

C14H28N2O6S — CID 57165221

IUPACbis(3-morpholin-4-ylpropyl) sulfate
SMILESO=S(=O)(OCCCN1CCOCC1)OCCCN1CCOCC1
InChIInChI=1S/C14H28N2O6S/c17-23(18,21-9-1-3-15-5-11-19-12-6-15)22-10-2-4-16-7-13-20-14-8-16/h1-14H2
InChIKeyZVTXRNDBXZSDEI-UHFFFAOYSA-N
MW352.45 g/mol
LogP-0.29
Rot. Bonds10

About bis(3-morpholin-4-ylpropyl) sulfate

bis(3-morpholin-4-ylpropyl) sulfate (PubChem CID 57165221) has the molecular formula C14H28N2O6S and a molecular weight of 352.45 g/mol. Its IUPAC name is bis(3-morpholin-4-ylpropyl) sulfate.

Molecular Properties

Compound Namebis(3-morpholin-4-ylpropyl) sulfate
PubChem CID57165221
Molecular FormulaC14H28N2O6S
Molecular Weight352.45 g/mol
Exact Mass352.17
IUPAC Namebis(3-morpholin-4-ylpropyl) sulfate
SMILESO=S(=O)(OCCCN1CCOCC1)OCCCN1CCOCC1
InChIInChI=1S/C14H28N2O6S/c17-23(18,21-9-1-3-15-5-11-19-12-6-15)22-10-2-4-16-7-13-20-14-8-16/h1-14H2
InChIKeyZVTXRNDBXZSDEI-UHFFFAOYSA-N
XLogP-0.29
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-ylpropyl propane-1-sulfonate
CID 118072969
3-morpholin-4-ylpropan-1-ol;3-morpholin-4-ylpropyl methanesulfonate
CID 159603618
CID 5478391
CID 5478391
2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethyl methanesulfonate
CID 89034076
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
iron(3+);tris(3-morpholin-4-ylpropane-1-sulfonate)
CID 158409877
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
4-morpholin-4-ylbutyl hypoiodite
CID 166765494
sodium;3-morpholin-4-ylpropane-1-sulfonate;hydrate
CID 43833364

Frequently Asked Questions

What is the IUPAC name of bis(3-morpholin-4-ylpropyl) sulfate?
The IUPAC name of bis(3-morpholin-4-ylpropyl) sulfate (CID 57165221) is bis(3-morpholin-4-ylpropyl) sulfate.
What is the SMILES notation for bis(3-morpholin-4-ylpropyl) sulfate?
The canonical SMILES for bis(3-morpholin-4-ylpropyl) sulfate is O=S(=O)(OCCCN1CCOCC1)OCCCN1CCOCC1.
What is the InChIKey of bis(3-morpholin-4-ylpropyl) sulfate?
The InChIKey is ZVTXRNDBXZSDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6S/c17-23(18,21-9-1-3-15-5-11-19-12-6-15)22-10-2-4-16-7-13-20-14-8-16/h1-14H2.
What are the key properties of bis(3-morpholin-4-ylpropyl) sulfate?
bis(3-morpholin-4-ylpropyl) sulfate has a molecular weight of 352.45 g/mol, XLogP of -0.29, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-morpholin-4-ylpropyl) sulfate is sourced from PubChem (CID 57165221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).