1-quinolin-2-ylcyclopropane-1-sulfinate

C12H10NO2S- — CID 175024907

IUPAC1-quinolin-2-ylcyclopropane-1-sulfinate
SMILESO=S([O-])C1(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C12H11NO2S/c14-16(15)12(7-8-12)11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8H2,(H,14,15)/p-1
InChIKeyMFACMCWBDMZKGM-UHFFFAOYSA-M
MW232.28 g/mol
LogP2.10
Rot. Bonds2

About 1-quinolin-2-ylcyclopropane-1-sulfinate

1-quinolin-2-ylcyclopropane-1-sulfinate (PubChem CID 175024907) has the molecular formula C12H10NO2S- and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-quinolin-2-ylcyclopropane-1-sulfinate.

Molecular Properties

Compound Name1-quinolin-2-ylcyclopropane-1-sulfinate
PubChem CID175024907
Molecular FormulaC12H10NO2S-
Molecular Weight232.28 g/mol
Exact Mass232.04
IUPAC Name1-quinolin-2-ylcyclopropane-1-sulfinate
SMILESO=S([O-])C1(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C12H11NO2S/c14-16(15)12(7-8-12)11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8H2,(H,14,15)/p-1
InChIKeyMFACMCWBDMZKGM-UHFFFAOYSA-M
XLogP2.10
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.10
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

2-(1-adamantyl)quinoline
CID 3122842
N-(1-quinolin-2-ylcyclohexyl)propanamide
CID 137371294
2-nitro-2-quinolin-2-ylindene-1,3-dione
CID 21240966
9-oxo-3-quinolin-2-yl-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171956202
quinolin-2-yl hydrogen sulfite
CID 175245480
silver quinolin-2-olate
CID 162166701
(3R)-2,2-dimethyl-3-quinolin-2-yl-1,4-benzodioxin-3-ol
CID 2303816
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
2-[(2R)-aziridin-2-yl]quinoline
CID 55263271

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylcyclopropane-1-sulfinate?
The IUPAC name of 1-quinolin-2-ylcyclopropane-1-sulfinate (CID 175024907) is 1-quinolin-2-ylcyclopropane-1-sulfinate.
What is the SMILES notation for 1-quinolin-2-ylcyclopropane-1-sulfinate?
The canonical SMILES for 1-quinolin-2-ylcyclopropane-1-sulfinate is O=S([O-])C1(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-quinolin-2-ylcyclopropane-1-sulfinate?
The InChIKey is MFACMCWBDMZKGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO2S/c14-16(15)12(7-8-12)11-6-5-9-3-1-2-4-10(9)13-11/h1-6H,7-8H2,(H,14,15)/p-1.
What are the key properties of 1-quinolin-2-ylcyclopropane-1-sulfinate?
1-quinolin-2-ylcyclopropane-1-sulfinate has a molecular weight of 232.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylcyclopropane-1-sulfinate is sourced from PubChem (CID 175024907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).