dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide

C7H14IK2NO4S — CID 173287773

IUPACdipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide
SMILESCNc1ccccc1.I.O=S(=O)(O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C7H9N.HI.2K.H2O4S.2H/c1-8-7-5-3-2-4-6-7;;;;1-5(2,3)4;;/h2-6,8H,1H3;1H;;;(H2,1,2,3,4);;/q;;2*+1;;2*-1
InChIKeyIHWLUQHBAPZNOZ-UHFFFAOYSA-N
MW413.36 g/mol
LogP-4.07
Rot. Bonds1

About dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide

dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide (PubChem CID 173287773) has the molecular formula C7H14IK2NO4S and a molecular weight of 413.36 g/mol. Its IUPAC name is dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide.

Molecular Properties

Compound Namedipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide
PubChem CID173287773
Molecular FormulaC7H14IK2NO4S
Molecular Weight413.36 g/mol
Exact Mass412.90
IUPAC Namedipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide
SMILESCNc1ccccc1.I.O=S(=O)(O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C7H9N.HI.2K.H2O4S.2H/c1-8-7-5-3-2-4-6-7;;;;1-5(2,3)4;;/h2-6,8H,1H3;1H;;;(H2,1,2,3,4);;/q;;2*+1;;2*-1
InChIKeyIHWLUQHBAPZNOZ-UHFFFAOYSA-N
XLogP-4.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 5-4.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide?
The IUPAC name of dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide (CID 173287773) is dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide.
What is the SMILES notation for dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide?
The canonical SMILES for dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide is CNc1ccccc1.I.O=S(=O)(O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide?
The InChIKey is IHWLUQHBAPZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.HI.2K.H2O4S.2H/c1-8-7-5-3-2-4-6-7;;;;1-5(2,3)4;;/h2-6,8H,1H3;1H;;;(H2,1,2,3,4);;/q;;2*+1;;2*-1.
What are the key properties of dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide?
dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide has a molecular weight of 413.36 g/mol, XLogP of -4.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;N-methylaniline;sulfuric acid;hydroiodide is sourced from PubChem (CID 173287773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).