bis(morpholin-4-ylamino) sulfate

C8H18N4O6S — CID 139679191

IUPACbis(morpholin-4-ylamino) sulfate
SMILESO=S(=O)(ONN1CCOCC1)ONN1CCOCC1
InChIInChI=1S/C8H18N4O6S/c13-19(14,17-9-11-1-5-15-6-2-11)18-10-12-3-7-16-8-4-12/h9-10H,1-8H2
InChIKeyTUABLFIHLUBMSN-UHFFFAOYSA-N
MW298.32 g/mol
LogP-2.23
Rot. Bonds6

About bis(morpholin-4-ylamino) sulfate

bis(morpholin-4-ylamino) sulfate (PubChem CID 139679191) has the molecular formula C8H18N4O6S and a molecular weight of 298.32 g/mol. Its IUPAC name is bis(morpholin-4-ylamino) sulfate.

Molecular Properties

Compound Namebis(morpholin-4-ylamino) sulfate
PubChem CID139679191
Molecular FormulaC8H18N4O6S
Molecular Weight298.32 g/mol
Exact Mass298.09
IUPAC Namebis(morpholin-4-ylamino) sulfate
SMILESO=S(=O)(ONN1CCOCC1)ONN1CCOCC1
InChIInChI=1S/C8H18N4O6S/c13-19(14,17-9-11-1-5-15-6-2-11)18-10-12-3-7-16-8-4-12/h9-10H,1-8H2
InChIKeyTUABLFIHLUBMSN-UHFFFAOYSA-N
XLogP-2.23
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(morpholin-4-ylamino) sulfate?
The IUPAC name of bis(morpholin-4-ylamino) sulfate (CID 139679191) is bis(morpholin-4-ylamino) sulfate.
What is the SMILES notation for bis(morpholin-4-ylamino) sulfate?
The canonical SMILES for bis(morpholin-4-ylamino) sulfate is O=S(=O)(ONN1CCOCC1)ONN1CCOCC1.
What is the InChIKey of bis(morpholin-4-ylamino) sulfate?
The InChIKey is TUABLFIHLUBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O6S/c13-19(14,17-9-11-1-5-15-6-2-11)18-10-12-3-7-16-8-4-12/h9-10H,1-8H2.
What are the key properties of bis(morpholin-4-ylamino) sulfate?
bis(morpholin-4-ylamino) sulfate has a molecular weight of 298.32 g/mol, XLogP of -2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(morpholin-4-ylamino) sulfate is sourced from PubChem (CID 139679191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).