bis(piperidine-1-carboximidamide);sulfate

C12H26N6O4S-2 — CID 176520873

IUPACbis(piperidine-1-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h2*1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyXEMFKRVIVCQOPE-UHFFFAOYSA-L
MW350.45 g/mol
LogP-0.61
Rot. Bonds

About bis(piperidine-1-carboximidamide);sulfate

bis(piperidine-1-carboximidamide);sulfate (PubChem CID 176520873) has the molecular formula C12H26N6O4S-2 and a molecular weight of 350.45 g/mol. Its IUPAC name is bis(piperidine-1-carboximidamide);sulfate.

Molecular Properties

Compound Namebis(piperidine-1-carboximidamide);sulfate
PubChem CID176520873
Molecular FormulaC12H26N6O4S-2
Molecular Weight350.45 g/mol
Exact Mass350.17
IUPAC Namebis(piperidine-1-carboximidamide);sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1.[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h2*1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyXEMFKRVIVCQOPE-UHFFFAOYSA-L
XLogP-0.61
TPSA186.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of bis(piperidine-1-carboximidamide);sulfate?
The IUPAC name of bis(piperidine-1-carboximidamide);sulfate (CID 176520873) is bis(piperidine-1-carboximidamide);sulfate.
What is the SMILES notation for bis(piperidine-1-carboximidamide);sulfate?
The canonical SMILES for bis(piperidine-1-carboximidamide);sulfate is O=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1.[H]/N=C(\N)N1CCCCC1.
What is the InChIKey of bis(piperidine-1-carboximidamide);sulfate?
The InChIKey is XEMFKRVIVCQOPE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13N3.H2O4S/c2*7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h2*1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2.
What are the key properties of bis(piperidine-1-carboximidamide);sulfate?
bis(piperidine-1-carboximidamide);sulfate has a molecular weight of 350.45 g/mol, XLogP of -0.61, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(piperidine-1-carboximidamide);sulfate is sourced from PubChem (CID 176520873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).