[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

C14H22N2O2S — CID 105304658

IUPAC[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCc1ccc(C(CC2CCS(=O)(=O)C2)NN)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-3-4-13(11(2)7-10)14(16-15)8-12-5-6-19(17,18)9-12/h3-4,7,12,14,16H,5-6,8-9,15H2,1-2H3
InChIKeyYIYARSRCEDJFPI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.63
Rot. Bonds4

About [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 105304658) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID105304658
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCc1ccc(C(CC2CCS(=O)(=O)C2)NN)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-3-4-13(11(2)7-10)14(16-15)8-12-5-6-19(17,18)9-12/h3-4,7,12,14,16H,5-6,8-9,15H2,1-2H3
InChIKeyYIYARSRCEDJFPI-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.63
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'}

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Related Compounds

[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
[2-(1,1-dioxothiolan-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105302170
1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 105120200
[2-(1,1-dioxothiolan-3-yl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105305688
N-[2-(1,1-dioxothiolan-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105142731
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
[1-(3-bromo-2-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 106649857
2-(1,1-dioxothiolan-3-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758164
[2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105311039
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
2-(1,1-dioxothiolan-3-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 105094959
1-(3,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 105140351

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 105304658) is [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is Cc1ccc(C(CC2CCS(=O)(=O)C2)NN)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is YIYARSRCEDJFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-3-4-13(11(2)7-10)14(16-15)8-12-5-6-19(17,18)9-12/h3-4,7,12,14,16H,5-6,8-9,15H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105304658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).