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

C6H14N2O2S — CID 3152335

IUPAC2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3
InChIKeyCEOZQBCJLYYRPZ-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds2

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

2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine (PubChem CID 3152335) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine
PubChem CID3152335
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3
InChIKeyCEOZQBCJLYYRPZ-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine (CID 3152335) is 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine is CN(C)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine?
The InChIKey is CEOZQBCJLYYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine?
2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 3152335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).