4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid

C10H16N4O6S — CID 75539457

IUPAC4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C10H14N4O2.H2O4S/c11-10(12)14-5-3-13(4-6-14)9(15)8-2-1-7-16-8;1-5(2,3)4/h1-2,7H,3-6H2,(H3,11,12);(H2,1,2,3,4)
InChIKeyNARRLHLTVVEFSY-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.72
Rot. Bonds1

About 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid

4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid (PubChem CID 75539457) has the molecular formula C10H16N4O6S and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid.

Molecular Properties

Compound Name4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
PubChem CID75539457
Molecular FormulaC10H16N4O6S
Molecular Weight320.33 g/mol
Exact Mass320.08
IUPAC Name4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C10H14N4O2.H2O4S/c11-10(12)14-5-3-13(4-6-14)9(15)8-2-1-7-16-8;1-5(2,3)4/h1-2,7H,3-6H2,(H3,11,12);(H2,1,2,3,4)
InChIKeyNARRLHLTVVEFSY-UHFFFAOYSA-N
XLogP-0.72
TPSA161.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
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'}

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
sodium 1-(furan-2-carbonyl)-4-(3-sulfosulfanylpropanoyl)piperazine
CID 126465640
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-[(3R)-3-ethyl-1-methylsulfonylpyrrolidin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95112284
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid?
The IUPAC name of 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid (CID 75539457) is 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid.
What is the SMILES notation for 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid?
The canonical SMILES for 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid?
The InChIKey is NARRLHLTVVEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.H2O4S/c11-10(12)14-5-3-13(4-6-14)9(15)8-2-1-7-16-8;1-5(2,3)4/h1-2,7H,3-6H2,(H3,11,12);(H2,1,2,3,4).
What are the key properties of 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid?
4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid has a molecular weight of 320.33 g/mol, XLogP of -0.72, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)piperazine-1-carboximidamide;sulfuric acid is sourced from PubChem (CID 75539457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).