bis(2-morpholin-4-ylethyl) sulfate

C12H24N2O6S — CID 87331922

IUPACbis(2-morpholin-4-ylethyl) sulfate
SMILESO=S(=O)(OCCN1CCOCC1)OCCN1CCOCC1
InChIInChI=1S/C12H24N2O6S/c15-21(16,19-11-5-13-1-7-17-8-2-13)20-12-6-14-3-9-18-10-4-14/h1-12H2
InChIKeyPCHBFPTYGGMRJV-UHFFFAOYSA-N
MW324.40 g/mol
LogP-1.07
Rot. Bonds8

About bis(2-morpholin-4-ylethyl) sulfate

bis(2-morpholin-4-ylethyl) sulfate (PubChem CID 87331922) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is bis(2-morpholin-4-ylethyl) sulfate.

Molecular Properties

Compound Namebis(2-morpholin-4-ylethyl) sulfate
PubChem CID87331922
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Namebis(2-morpholin-4-ylethyl) sulfate
SMILESO=S(=O)(OCCN1CCOCC1)OCCN1CCOCC1
InChIInChI=1S/C12H24N2O6S/c15-21(16,19-11-5-13-1-7-17-8-2-13)20-12-6-14-3-9-18-10-4-14/h1-12H2
InChIKeyPCHBFPTYGGMRJV-UHFFFAOYSA-N
XLogP-1.07
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2-morpholin-4-ylethyl) sulfate?
The IUPAC name of bis(2-morpholin-4-ylethyl) sulfate (CID 87331922) is bis(2-morpholin-4-ylethyl) sulfate.
What is the SMILES notation for bis(2-morpholin-4-ylethyl) sulfate?
The canonical SMILES for bis(2-morpholin-4-ylethyl) sulfate is O=S(=O)(OCCN1CCOCC1)OCCN1CCOCC1.
What is the InChIKey of bis(2-morpholin-4-ylethyl) sulfate?
The InChIKey is PCHBFPTYGGMRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c15-21(16,19-11-5-13-1-7-17-8-2-13)20-12-6-14-3-9-18-10-4-14/h1-12H2.
What are the key properties of bis(2-morpholin-4-ylethyl) sulfate?
bis(2-morpholin-4-ylethyl) sulfate has a molecular weight of 324.40 g/mol, XLogP of -1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-morpholin-4-ylethyl) sulfate is sourced from PubChem (CID 87331922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).