4-[2-(sulfinatoamino)ethyl]pyridine

C7H9N2O2S- — CID 69181611

IUPAC4-[2-(sulfinatoamino)ethyl]pyridine
SMILESO=S([O-])NCCc1ccncc1
InChIInChI=1S/C7H10N2O2S/c10-12(11)9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2,(H,10,11)/p-1
InChIKeyQXWBOBCCZVOLBD-UHFFFAOYSA-M
MW185.23 g/mol
LogP0.01
Rot. Bonds4

About 4-[2-(sulfinatoamino)ethyl]pyridine

4-[2-(sulfinatoamino)ethyl]pyridine (PubChem CID 69181611) has the molecular formula C7H9N2O2S- and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[2-(sulfinatoamino)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(sulfinatoamino)ethyl]pyridine
PubChem CID69181611
Molecular FormulaC7H9N2O2S-
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC Name4-[2-(sulfinatoamino)ethyl]pyridine
SMILESO=S([O-])NCCc1ccncc1
InChIInChI=1S/C7H10N2O2S/c10-12(11)9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2,(H,10,11)/p-1
InChIKeyQXWBOBCCZVOLBD-UHFFFAOYSA-M
XLogP0.01
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanyl-4-[2-(sulfinatoamino)ethyl]benzene
CID 168953020
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
pyridine-4-sulfinate
CID 6411641
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
[2-[4-[4-[2-(sulfinatomethylamino)ethyl]phenyl]phenyl]ethylamino]methanesulfinate
CID 174391524
3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
CID 115134973

Frequently Asked Questions

What is the IUPAC name of 4-[2-(sulfinatoamino)ethyl]pyridine?
The IUPAC name of 4-[2-(sulfinatoamino)ethyl]pyridine (CID 69181611) is 4-[2-(sulfinatoamino)ethyl]pyridine.
What is the SMILES notation for 4-[2-(sulfinatoamino)ethyl]pyridine?
The canonical SMILES for 4-[2-(sulfinatoamino)ethyl]pyridine is O=S([O-])NCCc1ccncc1.
What is the InChIKey of 4-[2-(sulfinatoamino)ethyl]pyridine?
The InChIKey is QXWBOBCCZVOLBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O2S/c10-12(11)9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2,(H,10,11)/p-1.
What are the key properties of 4-[2-(sulfinatoamino)ethyl]pyridine?
4-[2-(sulfinatoamino)ethyl]pyridine has a molecular weight of 185.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(sulfinatoamino)ethyl]pyridine is sourced from PubChem (CID 69181611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).