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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Related Compounds

bis(piperidine-1-carboximidamide);sulfate
CID 176520873
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
bis(morpholine-4-carboximidamide);sulfate
CID 73010846
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
4-oxopiperidine-1-carboximidamide
CID 19089226
ethane;4-methyl-1,4-diazepane-1-carboximidamide
CID 142313225
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
1-cyclohexyl-4-methylsulfonylbenzene;4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboximidamide
CID 157437205
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540

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).