bis(morpholine-4-carboximidamide);sulfate

C10H22N6O6S-2 — CID 73010846

IUPACbis(morpholine-4-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCOCC1.[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)/p-2
InChIKeyNJPXFDGHJDIRKX-UHFFFAOYSA-L
MW354.39 g/mol
LogP-2.91
Rot. Bonds

About bis(morpholine-4-carboximidamide);sulfate

bis(morpholine-4-carboximidamide);sulfate (PubChem CID 73010846) has the molecular formula C10H22N6O6S-2 and a molecular weight of 354.39 g/mol. Its IUPAC name is bis(morpholine-4-carboximidamide);sulfate.

Molecular Properties

Compound Namebis(morpholine-4-carboximidamide);sulfate
PubChem CID73010846
Molecular FormulaC10H22N6O6S-2
Molecular Weight354.39 g/mol
Exact Mass354.13
IUPAC Namebis(morpholine-4-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCOCC1.[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)/p-2
InChIKeyNJPXFDGHJDIRKX-UHFFFAOYSA-L
XLogP-2.91
TPSA204.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 5-2.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(piperidine-1-carboximidamide);sulfate
CID 176520873
piperidine-1-carboximidamide sulfate
CID 19705071
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
4-(oxan-4-yl)piperazine-1-carboximidamide
CID 121201865
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
4-oxopiperidine-1-carboximidamide
CID 19089226
2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine
CID 116633503
Morpholine-4-carboselenoamide
CID 12008371
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875

Frequently Asked Questions

What is the IUPAC name of bis(morpholine-4-carboximidamide);sulfate?
The IUPAC name of bis(morpholine-4-carboximidamide);sulfate (CID 73010846) is bis(morpholine-4-carboximidamide);sulfate.
What is the SMILES notation for bis(morpholine-4-carboximidamide);sulfate?
The canonical SMILES for bis(morpholine-4-carboximidamide);sulfate is O=S(=O)([O-])[O-].[H]/N=C(\N)N1CCOCC1.[H]/N=C(\N)N1CCOCC1.
What is the InChIKey of bis(morpholine-4-carboximidamide);sulfate?
The InChIKey is NJPXFDGHJDIRKX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)/p-2.
What are the key properties of bis(morpholine-4-carboximidamide);sulfate?
bis(morpholine-4-carboximidamide);sulfate has a molecular weight of 354.39 g/mol, XLogP of -2.91, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(morpholine-4-carboximidamide);sulfate is sourced from PubChem (CID 73010846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).