potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate

C8H8KNO5S — CID 87699638

IUPACpotassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate
SMILESO=S(=O)([O-])OC1(O)CNc2ccccc21.[K+]
InChIInChI=1S/C8H9NO5S.K/c10-8(14-15(11,12)13)5-9-7-4-2-1-3-6(7)8;/h1-4,9-10H,5H2,(H,11,12,13);/q;+1/p-1
InChIKeyXINXOWHUUPYQRA-UHFFFAOYSA-M
MW269.32 g/mol
LogP-3.26
Rot. Bonds2

About potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate

potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate (PubChem CID 87699638) has the molecular formula C8H8KNO5S and a molecular weight of 269.32 g/mol. Its IUPAC name is potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate.

Molecular Properties

Compound Namepotassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate
PubChem CID87699638
Molecular FormulaC8H8KNO5S
Molecular Weight269.32 g/mol
Exact Mass268.98
IUPAC Namepotassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate
SMILESO=S(=O)([O-])OC1(O)CNc2ccccc21.[K+]
InChIInChI=1S/C8H9NO5S.K/c10-8(14-15(11,12)13)5-9-7-4-2-1-3-6(7)8;/h1-4,9-10H,5H2,(H,11,12,13);/q;+1/p-1
InChIKeyXINXOWHUUPYQRA-UHFFFAOYSA-M
XLogP-3.26
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-3.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate?
The IUPAC name of potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate (CID 87699638) is potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate.
What is the SMILES notation for potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate?
The canonical SMILES for potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate is O=S(=O)([O-])OC1(O)CNc2ccccc21.[K+].
What is the InChIKey of potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate?
The InChIKey is XINXOWHUUPYQRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO5S.K/c10-8(14-15(11,12)13)5-9-7-4-2-1-3-6(7)8;/h1-4,9-10H,5H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate?
potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate has a molecular weight of 269.32 g/mol, XLogP of -3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate is sourced from PubChem (CID 87699638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).