bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid

C14H32N10O4S — CID 176522883

IUPACbis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(N)/N=C(\N)N1CCCCC1.[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/2C7H15N5.H2O4S/c2*8-6(9)11-7(10)12-4-2-1-3-5-12;1-5(2,3)4/h2*1-5H2,(H5,8,9,10,11);(H2,1,2,3,4)
InChIKeyZKGIKLOAEZLKPA-UHFFFAOYSA-N
MW436.54 g/mol
LogP-1.29
Rot. Bonds

About bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid

bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid (PubChem CID 176522883) has the molecular formula C14H32N10O4S and a molecular weight of 436.54 g/mol. Its IUPAC name is bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid.

Molecular Properties

Compound Namebis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
PubChem CID176522883
Molecular FormulaC14H32N10O4S
Molecular Weight436.54 g/mol
Exact Mass436.23
IUPAC Namebis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(N)/N=C(\N)N1CCCCC1.[H]/N=C(N)/N=C(\N)N1CCCCC1
InChIInChI=1S/2C7H15N5.H2O4S/c2*8-6(9)11-7(10)12-4-2-1-3-5-12;1-5(2,3)4/h2*1-5H2,(H5,8,9,10,11);(H2,1,2,3,4)
InChIKeyZKGIKLOAEZLKPA-UHFFFAOYSA-N
XLogP-1.29
TPSA257.58 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 5-1.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid?
The IUPAC name of bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid (CID 176522883) is bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid.
What is the SMILES notation for bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid?
The canonical SMILES for bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid is O=S(=O)(O)O.[H]/N=C(N)/N=C(\N)N1CCCCC1.[H]/N=C(N)/N=C(\N)N1CCCCC1.
What is the InChIKey of bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid?
The InChIKey is ZKGIKLOAEZLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N5.H2O4S/c2*8-6(9)11-7(10)12-4-2-1-3-5-12;1-5(2,3)4/h2*1-5H2,(H5,8,9,10,11);(H2,1,2,3,4).
What are the key properties of bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid?
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid has a molecular weight of 436.54 g/mol, XLogP of -1.29, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid is sourced from PubChem (CID 176522883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).