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

C6H14ClN2O2S- — CID 53346909

IUPAC2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride
SMILESCN(C)NC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H14N2O2S.ClH/c1-8(2)7-6-3-4-11(9,10)5-6;/h6-7H,3-5H2,1-2H3;1H/p-1
InChIKeyZKNGRNWCLZDYCX-UHFFFAOYSA-M
MW213.71 g/mol
LogP-3.76
Rot. Bonds2

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

2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride (PubChem CID 53346909) has the molecular formula C6H14ClN2O2S- and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride
PubChem CID53346909
Molecular FormulaC6H14ClN2O2S-
Molecular Weight213.71 g/mol
Exact Mass213.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride
SMILESCN(C)NC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C6H14N2O2S.ClH/c1-8(2)7-6-3-4-11(9,10)5-6;/h6-7H,3-5H2,1-2H3;1H/p-1
InChIKeyZKNGRNWCLZDYCX-UHFFFAOYSA-M
XLogP-3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 5-3.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride (CID 53346909) is 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride is CN(C)NC1CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride?
The InChIKey is ZKNGRNWCLZDYCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-8(2)7-6-3-4-11(9,10)5-6;/h6-7H,3-5H2,1-2H3;1H/p-1.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride?
2-(1,1-dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride has a molecular weight of 213.71 g/mol, XLogP of -3.76, 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 chloride is sourced from PubChem (CID 53346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).