N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine

C11H16N2OS — CID 146526583

IUPACN-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine
SMILESCCc1ccnc(OC2CC(NS)C2)c1
InChIInChI=1S/C11H16N2OS/c1-2-8-3-4-12-11(5-8)14-10-6-9(7-10)13-15/h3-5,9-10,13,15H,2,6-7H2,1H3
InChIKeyZELHYGVIQLAXSW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.99
Rot. Bonds4

About N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine

N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine (PubChem CID 146526583) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine
PubChem CID146526583
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine
SMILESCCc1ccnc(OC2CC(NS)C2)c1
InChIInChI=1S/C11H16N2OS/c1-2-8-3-4-12-11(5-8)14-10-6-9(7-10)13-15/h3-5,9-10,13,15H,2,6-7H2,1H3
InChIKeyZELHYGVIQLAXSW-UHFFFAOYSA-N
XLogP1.99
TPSA34.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethyl-2-pyridinyl)oxy]-N-propan-2-ylcyclobutan-1-amine
CID 135175004
2-cyclobutyloxy-4-ethylpyridine
CID 118553785
4-ethyl-2-(2-hydroxyoxaborinan-5-yl)oxypyridine
CID 170600987
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 134492981
S-methyl 3-[2-[3-(propan-2-ylamino)cyclobutyl]oxy-4-pyridinyl]propanethioate
CID 167293098
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
4-ethyl-2-(trifluoromethoxy)pyridine
CID 122546052
3-[(4-ethoxy-2-pyridinyl)oxy]cyclobutan-1-amine
CID 134579469
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
N-[[2-(4,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 114342312
[2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 43126965

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine?
The IUPAC name of N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine (CID 146526583) is N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine.
What is the SMILES notation for N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine?
The canonical SMILES for N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine is CCc1ccnc(OC2CC(NS)C2)c1.
What is the InChIKey of N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine?
The InChIKey is ZELHYGVIQLAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-8-3-4-12-11(5-8)14-10-6-9(7-10)13-15/h3-5,9-10,13,15H,2,6-7H2,1H3.
What are the key properties of N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine?
N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine has a molecular weight of 224.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine is sourced from PubChem (CID 146526583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).