[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine

C14H22N2O2S — CID 105285193

IUPAC[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccccc1CC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-3-5-13(11)9-14(16-15)8-12-6-7-19(17,18)10-12/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyLQDWIBNGLCYTGC-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.19
Rot. Bonds5

About [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105285193) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
PubChem CID105285193
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccccc1CC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C14H22N2O2S/c1-11-4-2-3-5-13(11)9-14(16-15)8-12-6-7-19(17,18)10-12/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyLQDWIBNGLCYTGC-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.19
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-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-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

Related Compounds

[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105340830
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
[1-cyclobutyl-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105208383
[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105295494
[1-(3-ethoxycyclobutyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 103170384
[1-(1-butan-2-ylpyrazol-3-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 105312568
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
[2-(1,1-dioxothiolan-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105302170
1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105290634
[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105304658
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine (CID 105285193) is [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine is Cc1ccccc1CC(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is LQDWIBNGLCYTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-2-3-5-13(11)9-14(16-15)8-12-6-7-19(17,18)10-12/h2-5,12,14,16H,6-10,15H2,1H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105285193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).