2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide

C9H12N2O4S — CID 20758010

IUPAC2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
SMILESNNC(=O)COCC1COc2cscc2O1
InChIInChI=1S/C9H12N2O4S/c10-11-9(12)3-13-1-6-2-14-7-4-16-5-8(7)15-6/h4-6H,1-3,10H2,(H,11,12)
InChIKeyBHFIDLSLDAIISZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.11
Rot. Bonds4

About 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide

2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide (PubChem CID 20758010) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
PubChem CID20758010
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
SMILESNNC(=O)COCC1COc2cscc2O1
InChIInChI=1S/C9H12N2O4S/c10-11-9(12)3-13-1-6-2-14-7-4-16-5-8(7)15-6/h4-6H,1-3,10H2,(H,11,12)
InChIKeyBHFIDLSLDAIISZ-UHFFFAOYSA-N
XLogP-0.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide 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

trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
CID 20758025
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
CID 45122038
3-(cyclohexylmethoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745535
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
CID 146619151
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
CID 86096746
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
CID 175163328
ethyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-2-sulfanylacetate
CID 87767598
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)butane-2-sulfonic acid
CID 118522915
CID 118522916
CID 118522916

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide?
The IUPAC name of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide (CID 20758010) is 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide.
What is the SMILES notation for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide?
The canonical SMILES for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide is NNC(=O)COCC1COc2cscc2O1.
What is the InChIKey of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide?
The InChIKey is BHFIDLSLDAIISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-11-9(12)3-13-1-6-2-14-7-4-16-5-8(7)15-6/h4-6H,1-3,10H2,(H,11,12).
What are the key properties of 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide?
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide has a molecular weight of 244.27 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide is sourced from PubChem (CID 20758010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).