methanesulfonate;quinolin-1-ium

C10H11NO3S — CID 11521445

IUPACmethanesulfonate;quinolin-1-ium
SMILESCS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1
InChIInChI=1S/C9H7N.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;1H3,(H,2,3,4)
InChIKeyQDZPEBUZOMOUNJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.82
Rot. Bonds

About methanesulfonate;quinolin-1-ium

methanesulfonate;quinolin-1-ium (PubChem CID 11521445) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is methanesulfonate;quinolin-1-ium.

Molecular Properties

Compound Namemethanesulfonate;quinolin-1-ium
PubChem CID11521445
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Namemethanesulfonate;quinolin-1-ium
SMILESCS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1
InChIInChI=1S/C9H7N.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;1H3,(H,2,3,4)
InChIKeyQDZPEBUZOMOUNJ-UHFFFAOYSA-N
XLogP0.82
TPSA71.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinolin-1-ium sulfamate
CID 11680206
4-methylbenzenesulfonate;quinolin-1-ium
CID 11702180
butanedioate;bis(quinolin-1-ium)
CID 11538076
ethane;methanesulfonate;naphthalene
CID 91264574
bis(quinolin-1-ium-8-ol);sulfate
CID 8639
dimethyl(phenyl)sulfanium;methanesulfonate
CID 158678678
2-(chloromethyl)naphthalene-1-carbaldehyde;quinolin-1-ium;chloride
CID 23358540
methanesulfonate;(NE)-N-(pyridin-1-ium-2-yl(114C)methylidene)hydroxylamine
CID 135411162
dipotassium;naphthalene;sulfate
CID 159561982
calcium;naphthalene;sulfate
CID 158920591
thieno[2,3-b]pyridin-7-ium;trifluoromethanesulfonate
CID 157126773
7-phosphorosoquinolin-1-ium
CID 175349758

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;quinolin-1-ium?
The IUPAC name of methanesulfonate;quinolin-1-ium (CID 11521445) is methanesulfonate;quinolin-1-ium.
What is the SMILES notation for methanesulfonate;quinolin-1-ium?
The canonical SMILES for methanesulfonate;quinolin-1-ium is CS(=O)(=O)[O-].c1ccc2[nH+]cccc2c1.
What is the InChIKey of methanesulfonate;quinolin-1-ium?
The InChIKey is QDZPEBUZOMOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;quinolin-1-ium?
methanesulfonate;quinolin-1-ium has a molecular weight of 225.27 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;quinolin-1-ium is sourced from PubChem (CID 11521445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).