(1,1-dioxothian-3-yl)hydrazine

C5H12N2O2S — CID 63923655

IUPAC(1,1-dioxothian-3-yl)hydrazine
SMILESNNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c6-7-5-2-1-3-10(8,9)4-5/h5,7H,1-4,6H2
InChIKeyCVWGZANPSPIYCW-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds1

About (1,1-dioxothian-3-yl)hydrazine

(1,1-dioxothian-3-yl)hydrazine (PubChem CID 63923655) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is (1,1-dioxothian-3-yl)hydrazine.

Molecular Properties

Compound Name(1,1-dioxothian-3-yl)hydrazine
PubChem CID63923655
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name(1,1-dioxothian-3-yl)hydrazine
SMILESNNC1CCCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c6-7-5-2-1-3-10(8,9)4-5/h5,7H,1-4,6H2
InChIKeyCVWGZANPSPIYCW-UHFFFAOYSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
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'}

Analyze (1,1-dioxothian-3-yl)hydrazine 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 (1,1-dioxothian-3-yl)hydrazine?
The IUPAC name of (1,1-dioxothian-3-yl)hydrazine (CID 63923655) is (1,1-dioxothian-3-yl)hydrazine.
What is the SMILES notation for (1,1-dioxothian-3-yl)hydrazine?
The canonical SMILES for (1,1-dioxothian-3-yl)hydrazine is NNC1CCCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothian-3-yl)hydrazine?
The InChIKey is CVWGZANPSPIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-7-5-2-1-3-10(8,9)4-5/h5,7H,1-4,6H2.
What are the key properties of (1,1-dioxothian-3-yl)hydrazine?
(1,1-dioxothian-3-yl)hydrazine has a molecular weight of 164.23 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-3-yl)hydrazine is sourced from PubChem (CID 63923655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).