[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine

C12H19N3O3S — CID 105329744

IUPAC[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
SMILESCOc1cncc(C(CC2CCS(=O)(=O)C2)NN)c1
InChIInChI=1S/C12H19N3O3S/c1-18-11-5-10(6-14-7-11)12(15-13)4-9-2-3-19(16,17)8-9/h5-7,9,12,15H,2-4,8,13H2,1H3
InChIKeyAZGXAAKSSOUIHF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.42
Rot. Bonds5

About [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine

[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine (PubChem CID 105329744) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
PubChem CID105329744
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
SMILESCOc1cncc(C(CC2CCS(=O)(=O)C2)NN)c1
InChIInChI=1S/C12H19N3O3S/c1-18-11-5-10(6-14-7-11)12(15-13)4-9-2-3-19(16,17)8-9/h5-7,9,12,15H,2-4,8,13H2,1H3
InChIKeyAZGXAAKSSOUIHF-UHFFFAOYSA-N
XLogP0.42
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 105095465
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
CID 105286909
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
[4-ethoxy-1-(5-methoxy-3-pyridinyl)butyl]hydrazine
CID 105329751
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-methylpropan-1-amine
CID 105025992
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
1-(5-methoxy-3-pyridinyl)heptylhydrazine
CID 105329844
[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105304658
[(3,5-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329847
[1-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105200033
[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307419

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine (CID 105329744) is [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine is COc1cncc(C(CC2CCS(=O)(=O)C2)NN)c1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine?
The InChIKey is AZGXAAKSSOUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-11-5-10(6-14-7-11)12(15-13)4-9-2-3-19(16,17)8-9/h5-7,9,12,15H,2-4,8,13H2,1H3.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine has a molecular weight of 285.37 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105329744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).