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

C12H18N2O2S — CID 105258752

IUPAC[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c13-14-12(8-10-4-2-1-3-5-10)11-6-7-17(15,16)9-11/h1-5,11-12,14H,6-9,13H2
InChIKeyXGFRJKBXWLWKKL-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.50
Rot. Bonds4

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

[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine (PubChem CID 105258752) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
PubChem CID105258752
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c13-14-12(8-10-4-2-1-3-5-10)11-6-7-17(15,16)9-11/h1-5,11-12,14H,6-9,13H2
InChIKeyXGFRJKBXWLWKKL-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.50
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)-2-phenylethyl]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

[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105258950
[2-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258979
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
CID 105283171
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
CID 62881944
4-[2-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethyl]phenol
CID 115336672

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine (CID 105258752) is [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine is NNC(Cc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine?
The InChIKey is XGFRJKBXWLWKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-14-12(8-10-4-2-1-3-5-10)11-6-7-17(15,16)9-11/h1-5,11-12,14H,6-9,13H2.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine has a molecular weight of 254.35 g/mol, XLogP of 0.50, 4 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)-2-phenylethyl]hydrazine is sourced from PubChem (CID 105258752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).