2-methylpropanimidamide;sulfuric acid

C4H12N2O4S — CID 86734093

IUPAC2-methylpropanimidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H3,5,6);(H2,1,2,3,4)
InChIKeyBNMAPENIBVRJMZ-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.07
Rot. Bonds1

About 2-methylpropanimidamide;sulfuric acid

2-methylpropanimidamide;sulfuric acid (PubChem CID 86734093) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-methylpropanimidamide;sulfuric acid.

Molecular Properties

Compound Name2-methylpropanimidamide;sulfuric acid
PubChem CID86734093
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Name2-methylpropanimidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H3,5,6);(H2,1,2,3,4)
InChIKeyBNMAPENIBVRJMZ-UHFFFAOYSA-N
XLogP-0.07
TPSA124.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-methylpropanimidamide;sulfuric acid?
The IUPAC name of 2-methylpropanimidamide;sulfuric acid (CID 86734093) is 2-methylpropanimidamide;sulfuric acid.
What is the SMILES notation for 2-methylpropanimidamide;sulfuric acid?
The canonical SMILES for 2-methylpropanimidamide;sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)C(C)C.
What is the InChIKey of 2-methylpropanimidamide;sulfuric acid?
The InChIKey is BNMAPENIBVRJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.H2O4S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H3,5,6);(H2,1,2,3,4).
What are the key properties of 2-methylpropanimidamide;sulfuric acid?
2-methylpropanimidamide;sulfuric acid has a molecular weight of 184.22 g/mol, XLogP of -0.07, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanimidamide;sulfuric acid is sourced from PubChem (CID 86734093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).