2-methylpropanimidamide;sulfo hydrogen sulfate

C4H12N2O7S2 — CID 87442057

IUPAC2-methylpropanimidamide;sulfo hydrogen sulfate
SMILESO=S(=O)(O)OS(=O)(=O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.H2O7S2/c1-3(2)4(5)6;1-8(2,3)7-9(4,5)6/h3H,1-2H3,(H3,5,6);(H,1,2,3)(H,4,5,6)
InChIKeyJCGIDGTXJZXFNJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.81
Rot. Bonds3

About 2-methylpropanimidamide;sulfo hydrogen sulfate

2-methylpropanimidamide;sulfo hydrogen sulfate (PubChem CID 87442057) has the molecular formula C4H12N2O7S2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methylpropanimidamide;sulfo hydrogen sulfate.

Molecular Properties

Compound Name2-methylpropanimidamide;sulfo hydrogen sulfate
PubChem CID87442057
Molecular FormulaC4H12N2O7S2
Molecular Weight264.28 g/mol
Exact Mass264.01
IUPAC Name2-methylpropanimidamide;sulfo hydrogen sulfate
SMILESO=S(=O)(O)OS(=O)(=O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.H2O7S2/c1-3(2)4(5)6;1-8(2,3)7-9(4,5)6/h3H,1-2H3,(H3,5,6);(H,1,2,3)(H,4,5,6)
InChIKeyJCGIDGTXJZXFNJ-UHFFFAOYSA-N
XLogP-0.81
TPSA167.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.81
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'}

Analyze 2-methylpropanimidamide;sulfo hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanimidamide;sulfo hydrogen sulfate?
The IUPAC name of 2-methylpropanimidamide;sulfo hydrogen sulfate (CID 87442057) is 2-methylpropanimidamide;sulfo hydrogen sulfate.
What is the SMILES notation for 2-methylpropanimidamide;sulfo hydrogen sulfate?
The canonical SMILES for 2-methylpropanimidamide;sulfo hydrogen sulfate is O=S(=O)(O)OS(=O)(=O)O.[H]/N=C(\N)C(C)C.
What is the InChIKey of 2-methylpropanimidamide;sulfo hydrogen sulfate?
The InChIKey is JCGIDGTXJZXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.H2O7S2/c1-3(2)4(5)6;1-8(2,3)7-9(4,5)6/h3H,1-2H3,(H3,5,6);(H,1,2,3)(H,4,5,6).
What are the key properties of 2-methylpropanimidamide;sulfo hydrogen sulfate?
2-methylpropanimidamide;sulfo hydrogen sulfate has a molecular weight of 264.28 g/mol, XLogP of -0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanimidamide;sulfo hydrogen sulfate is sourced from PubChem (CID 87442057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).