sodium 8-methylquinoline-5-sulfinate

C10H8NNaO2S — CID 131206399

IUPACsodium 8-methylquinoline-5-sulfinate
SMILESCc1ccc(S(=O)[O-])c2cccnc12.[Na+]
InChIInChI=1S/C10H9NO2S.Na/c1-7-4-5-9(14(12)13)8-3-2-6-11-10(7)8;/h2-6H,1H3,(H,12,13);/q;+1/p-1
InChIKeyPPSNQUCLQMLWIA-UHFFFAOYSA-M
MW229.24 g/mol
LogP-1.21
Rot. Bonds1

About sodium 8-methylquinoline-5-sulfinate

sodium 8-methylquinoline-5-sulfinate (PubChem CID 131206399) has the molecular formula C10H8NNaO2S and a molecular weight of 229.24 g/mol. Its IUPAC name is sodium 8-methylquinoline-5-sulfinate.

Molecular Properties

Compound Namesodium 8-methylquinoline-5-sulfinate
PubChem CID131206399
Molecular FormulaC10H8NNaO2S
Molecular Weight229.24 g/mol
Exact Mass229.02
IUPAC Namesodium 8-methylquinoline-5-sulfinate
SMILESCc1ccc(S(=O)[O-])c2cccnc12.[Na+]
InChIInChI=1S/C10H9NO2S.Na/c1-7-4-5-9(14(12)13)8-3-2-6-11-10(7)8;/h2-6H,1H3,(H,12,13);/q;+1/p-1
InChIKeyPPSNQUCLQMLWIA-UHFFFAOYSA-M
XLogP-1.21
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methylsulfinylquinolin-8-amine
CID 164876860
(8-methylquinolin-5-yl)methanamine
CID 51072174
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
1-(8-methylquinolin-5-yl)cyclopropan-1-amine
CID 177268895
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
sodium 2,5-dimethylbenzenesulfinate
CID 3310489
(5-methylquinolin-8-yl)boronic acid
CID 59606741
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579

Frequently Asked Questions

What is the IUPAC name of sodium 8-methylquinoline-5-sulfinate?
The IUPAC name of sodium 8-methylquinoline-5-sulfinate (CID 131206399) is sodium 8-methylquinoline-5-sulfinate.
What is the SMILES notation for sodium 8-methylquinoline-5-sulfinate?
The canonical SMILES for sodium 8-methylquinoline-5-sulfinate is Cc1ccc(S(=O)[O-])c2cccnc12.[Na+].
What is the InChIKey of sodium 8-methylquinoline-5-sulfinate?
The InChIKey is PPSNQUCLQMLWIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO2S.Na/c1-7-4-5-9(14(12)13)8-3-2-6-11-10(7)8;/h2-6H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 8-methylquinoline-5-sulfinate?
sodium 8-methylquinoline-5-sulfinate has a molecular weight of 229.24 g/mol, XLogP of -1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-methylquinoline-5-sulfinate is sourced from PubChem (CID 131206399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).