(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate

C10H12NO2S- — CID 52942975

IUPAC(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate
SMILESC[C@H]1CNc2c(cccc2S(=O)[O-])C1
InChIInChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13)/p-1/t7-/m1/s1
InChIKeyBDOBQGTXRREVKI-SSDOTTSWSA-M
MW210.28 g/mol
LogP1.53
Rot. Bonds1

About (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate

(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate (PubChem CID 52942975) has the molecular formula C10H12NO2S- and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate.

Molecular Properties

Compound Name(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate
PubChem CID52942975
Molecular FormulaC10H12NO2S-
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate
SMILESC[C@H]1CNc2c(cccc2S(=O)[O-])C1
InChIInChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13)/p-1/t7-/m1/s1
InChIKeyBDOBQGTXRREVKI-SSDOTTSWSA-M
XLogP1.53
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate?
The IUPAC name of (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate (CID 52942975) is (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate.
What is the SMILES notation for (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate?
The canonical SMILES for (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate is C[C@H]1CNc2c(cccc2S(=O)[O-])C1.
What is the InChIKey of (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate?
The InChIKey is BDOBQGTXRREVKI-SSDOTTSWSA-M. The full InChI is InChI=1S/C10H13NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13)/p-1/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate?
(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate has a molecular weight of 210.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfinate is sourced from PubChem (CID 52942975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).