[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine

C11H17N3O2S — CID 105258767

IUPAC[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
SMILESNNC(Cc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O2S/c12-14-11(7-10-3-1-2-5-13-10)9-4-6-17(15,16)8-9/h1-3,5,9,11,14H,4,6-8,12H2
InChIKeyUFPUHIQWAVQNES-UHFFFAOYSA-N
MW255.34 g/mol
LogP-0.11
Rot. Bonds4

About [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine (PubChem CID 105258767) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
PubChem CID105258767
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
SMILESNNC(Cc1ccccn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O2S/c12-14-11(7-10-3-1-2-5-13-10)9-4-6-17(15,16)8-9/h1-3,5,9,11,14H,4,6-8,12H2
InChIKeyUFPUHIQWAVQNES-UHFFFAOYSA-N
XLogP-0.11
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[1-(4-methylcyclohexyl)-2-pyridin-2-ylethyl]hydrazine
CID 105199922
[1-(oxan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105229826
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105258950
[1-(7-bicyclo[4.1.0]heptanyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315370
[1-(2-methylcyclopropyl)-2-pyridin-2-ylethyl]hydrazine
CID 105234753
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[2-pyridin-2-yl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105315358
[2-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258979
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 66460317

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine (CID 105258767) is [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine is NNC(Cc1ccccn1)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine?
The InChIKey is UFPUHIQWAVQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-14-11(7-10-3-1-2-5-13-10)9-4-6-17(15,16)8-9/h1-3,5,9,11,14H,4,6-8,12H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine has a molecular weight of 255.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine is sourced from PubChem (CID 105258767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).