[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine

C10H14N2O3S — CID 116876306

IUPAC[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(C2(NN)COC2)cc1
InChIInChI=1S/C10H14N2O3S/c1-16(13,14)9-4-2-8(3-5-9)10(12-11)6-15-7-10/h2-5,12H,6-7,11H2,1H3
InChIKeyMWBMTTUTEXMWFB-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.22
Rot. Bonds3

About [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine

[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine (PubChem CID 116876306) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine
PubChem CID116876306
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine
SMILESCS(=O)(=O)c1ccc(C2(NN)COC2)cc1
InChIInChI=1S/C10H14N2O3S/c1-16(13,14)9-4-2-8(3-5-9)10(12-11)6-15-7-10/h2-5,12H,6-7,11H2,1H3
InChIKeyMWBMTTUTEXMWFB-UHFFFAOYSA-N
XLogP-0.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.22
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 [3-(4-methylsulfonylphenyl)oxetan-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 [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine?
The IUPAC name of [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine (CID 116876306) is [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine.
What is the SMILES notation for [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine?
The canonical SMILES for [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine is CS(=O)(=O)c1ccc(C2(NN)COC2)cc1.
What is the InChIKey of [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine?
The InChIKey is MWBMTTUTEXMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(13,14)9-4-2-8(3-5-9)10(12-11)6-15-7-10/h2-5,12H,6-7,11H2,1H3.
What are the key properties of [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine?
[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine has a molecular weight of 242.30 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 [3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine is sourced from PubChem (CID 116876306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).