[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine

C9H14N2O3S — CID 105258764

IUPAC[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine
SMILESNNC(c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O3S/c10-11-9(8-2-1-4-14-8)7-3-5-15(12,13)6-7/h1-2,4,7,9,11H,3,5-6,10H2
InChIKeyQEARHPUWDXGQBK-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.22
Rot. Bonds3

About [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine

[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine (PubChem CID 105258764) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine
PubChem CID105258764
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine
SMILESNNC(c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O3S/c10-11-9(8-2-1-4-14-8)7-3-5-15(12,13)6-7/h1-2,4,7,9,11H,3,5-6,10H2
InChIKeyQEARHPUWDXGQBK-UHFFFAOYSA-N
XLogP0.22
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.22
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'}

Analyze [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine with MolForge

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

Launch Full Analysis

Related Compounds

[(3,5-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 105213645
N-[(1R)-1-(furan-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 81402788
2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
CID 62998485
[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105258804
[furan-2-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107193917
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[(2,2-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 107193914
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 115336729
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 62999776
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884400
cyclopropyl(furan-2-yl)methanamine
CID 5013297

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine?
The IUPAC name of [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine (CID 105258764) is [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine is NNC(c1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine?
The InChIKey is QEARHPUWDXGQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-11-9(8-2-1-4-14-8)7-3-5-15(12,13)6-7/h1-2,4,7,9,11H,3,5-6,10H2.
What are the key properties of [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine?
[(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine has a molecular weight of 230.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothiolan-3-yl)-(furan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105258764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).