piperidine-1-carboximidamide sulfate

C6H13N3O4S-2 — CID 19705071

IUPACpiperidine-1-carboximidamide sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C6H13N3.H2O4S/c7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyQRJOPHMQLSWTEK-UHFFFAOYSA-L
MW223.25 g/mol
LogP-0.97
Rot. Bonds

About piperidine-1-carboximidamide sulfate

piperidine-1-carboximidamide sulfate (PubChem CID 19705071) has the molecular formula C6H13N3O4S-2 and a molecular weight of 223.25 g/mol. Its IUPAC name is piperidine-1-carboximidamide sulfate.

Molecular Properties

Compound Namepiperidine-1-carboximidamide sulfate
PubChem CID19705071
Molecular FormulaC6H13N3O4S-2
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC Namepiperidine-1-carboximidamide sulfate
SMILESO=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1
InChIInChI=1S/C6H13N3.H2O4S/c7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2
InChIKeyQRJOPHMQLSWTEK-UHFFFAOYSA-L
XLogP-0.97
TPSA133.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 piperidine-1-carboximidamide sulfate?
The IUPAC name of piperidine-1-carboximidamide sulfate (CID 19705071) is piperidine-1-carboximidamide sulfate.
What is the SMILES notation for piperidine-1-carboximidamide sulfate?
The canonical SMILES for piperidine-1-carboximidamide sulfate is O=S(=O)([O-])[O-].[H]/N=C(\N)N1CCCCC1.
What is the InChIKey of piperidine-1-carboximidamide sulfate?
The InChIKey is QRJOPHMQLSWTEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H13N3.H2O4S/c7-6(8)9-4-2-1-3-5-9;1-5(2,3)4/h1-5H2,(H3,7,8);(H2,1,2,3,4)/p-2.
What are the key properties of piperidine-1-carboximidamide sulfate?
piperidine-1-carboximidamide sulfate has a molecular weight of 223.25 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboximidamide sulfate is sourced from PubChem (CID 19705071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).