amino(quinolin-2-yl)methanesulfinic acid

C10H10N2O2S — CID 66872593

IUPACamino(quinolin-2-yl)methanesulfinic acid
SMILESNC(c1ccc2ccccc2n1)S(=O)O
InChIInChI=1S/C10H10N2O2S/c11-10(15(13)14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6,10H,11H2,(H,13,14)
InChIKeyRBUMCHROOPZZNA-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.41
Rot. Bonds2

About amino(quinolin-2-yl)methanesulfinic acid

amino(quinolin-2-yl)methanesulfinic acid (PubChem CID 66872593) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is amino(quinolin-2-yl)methanesulfinic acid.

Molecular Properties

Compound Nameamino(quinolin-2-yl)methanesulfinic acid
PubChem CID66872593
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameamino(quinolin-2-yl)methanesulfinic acid
SMILESNC(c1ccc2ccccc2n1)S(=O)O
InChIInChI=1S/C10H10N2O2S/c11-10(15(13)14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6,10H,11H2,(H,13,14)
InChIKeyRBUMCHROOPZZNA-UHFFFAOYSA-N
XLogP1.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino(quinolin-2-yl)methanol
CID 154237779
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
2-amino-1-quinolin-2-ylbutan-1-ol
CID 64955097
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567

Frequently Asked Questions

What is the IUPAC name of amino(quinolin-2-yl)methanesulfinic acid?
The IUPAC name of amino(quinolin-2-yl)methanesulfinic acid (CID 66872593) is amino(quinolin-2-yl)methanesulfinic acid.
What is the SMILES notation for amino(quinolin-2-yl)methanesulfinic acid?
The canonical SMILES for amino(quinolin-2-yl)methanesulfinic acid is NC(c1ccc2ccccc2n1)S(=O)O.
What is the InChIKey of amino(quinolin-2-yl)methanesulfinic acid?
The InChIKey is RBUMCHROOPZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-10(15(13)14)9-6-5-7-3-1-2-4-8(7)12-9/h1-6,10H,11H2,(H,13,14).
What are the key properties of amino(quinolin-2-yl)methanesulfinic acid?
amino(quinolin-2-yl)methanesulfinic acid has a molecular weight of 222.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(quinolin-2-yl)methanesulfinic acid is sourced from PubChem (CID 66872593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).