2-(1,1-dioxothiolan-3-yl)ethylhydrazine

C6H14N2O2S — CID 84656674

IUPAC2-(1,1-dioxothiolan-3-yl)ethylhydrazine
SMILESNNCCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c7-8-3-1-6-2-4-11(9,10)5-6/h6,8H,1-5,7H2
InChIKeyNYBOXPZAFUMSHI-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)ethylhydrazine

2-(1,1-dioxothiolan-3-yl)ethylhydrazine (PubChem CID 84656674) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)ethylhydrazine
PubChem CID84656674
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)ethylhydrazine
SMILESNNCCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c7-8-3-1-6-2-4-11(9,10)5-6/h6,8H,1-5,7H2
InChIKeyNYBOXPZAFUMSHI-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(Hydrazinylmethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 155819743
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
4-(Hydrazinylmethyl)-1lambda6-thiane-1,1-dione
CID 84656673
(3-Methyl-1,1-dioxothiolan-2-yl)hydrazine
CID 154229907
(2,4-Dimethyl-1,1-dioxothiolan-3-yl)hydrazine
CID 154245017
2-[(3R)-1,1-dioxothiolan-3-yl]ethanamine
CID 40462854
2-[(3S)-1,1-dioxothiolan-3-yl]ethanamine
CID 40535681
3-(Hydrazinylmethyl)tetrahydrothiophene 1,1-dioxide
CID 64904746
2-(Thiolan-3-yl)ethylhydrazine
CID 84649122
(1,1-Dioxothiolan-2-yl)methylhydrazine
CID 84651959
(1,1-Dioxothian-3-yl)methylhydrazine
CID 84656672
2-(1,1-Dioxothiolan-2-yl)ethylhydrazine
CID 84656676

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)ethylhydrazine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)ethylhydrazine (CID 84656674) is 2-(1,1-dioxothiolan-3-yl)ethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)ethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)ethylhydrazine is NNCCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)ethylhydrazine?
The InChIKey is NYBOXPZAFUMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-8-3-1-6-2-4-11(9,10)5-6/h6,8H,1-5,7H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)ethylhydrazine?
2-(1,1-dioxothiolan-3-yl)ethylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)ethylhydrazine is sourced from PubChem (CID 84656674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).