N-(2-pyridin-4-ylethyl)thiohydroxylamine

C7H10N2S — CID 146641300

IUPACN-(2-pyridin-4-ylethyl)thiohydroxylamine
SMILESSNCCc1ccncc1
InChIInChI=1S/C7H10N2S/c10-9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9-10H,3,6H2
InChIKeyPVEOYVXZGHCRSR-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.06
Rot. Bonds3

About N-(2-pyridin-4-ylethyl)thiohydroxylamine

N-(2-pyridin-4-ylethyl)thiohydroxylamine (PubChem CID 146641300) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)thiohydroxylamine
PubChem CID146641300
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC NameN-(2-pyridin-4-ylethyl)thiohydroxylamine
SMILESSNCCc1ccncc1
InChIInChI=1S/C7H10N2S/c10-9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9-10H,3,6H2
InChIKeyPVEOYVXZGHCRSR-UHFFFAOYSA-N
XLogP1.06
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508874
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-[2-(sulfinatoamino)ethyl]pyridine
CID 69181611
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-(2-pyridin-4-ylethyl)piperidin-1-amine
CID 83014813

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)thiohydroxylamine?
The IUPAC name of N-(2-pyridin-4-ylethyl)thiohydroxylamine (CID 146641300) is N-(2-pyridin-4-ylethyl)thiohydroxylamine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)thiohydroxylamine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)thiohydroxylamine is SNCCc1ccncc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)thiohydroxylamine?
The InChIKey is PVEOYVXZGHCRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c10-9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9-10H,3,6H2.
What are the key properties of N-(2-pyridin-4-ylethyl)thiohydroxylamine?
N-(2-pyridin-4-ylethyl)thiohydroxylamine has a molecular weight of 154.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)thiohydroxylamine is sourced from PubChem (CID 146641300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).