[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

C14H22N2O2S — CID 105258836

IUPAC[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCc1cc(C)cc(CC(NN)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-11(2)7-12(6-10)8-14(16-15)13-3-4-19(17,18)9-13/h5-7,13-14,16H,3-4,8-9,15H2,1-2H3
InChIKeyJMNLCVOGEBFCDG-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.11
Rot. Bonds4

About [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine

[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (PubChem CID 105258836) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
PubChem CID105258836
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
SMILESCc1cc(C)cc(CC(NN)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-11(2)7-12(6-10)8-14(16-15)13-3-4-19(17,18)9-13/h5-7,13-14,16H,3-4,8-9,15H2,1-2H3
InChIKeyJMNLCVOGEBFCDG-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
3-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
CID 66023416
3-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine
CID 62529445
[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258878
[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
CID 105258751
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767
[2-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258979
1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
[1-(2,2-dimethylcyclopropyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 107005567
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105258950
[(1,1-dioxothiolan-3-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884400

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine (CID 105258836) is [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is Cc1cc(C)cc(CC(NN)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
The InChIKey is JMNLCVOGEBFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-11(2)7-12(6-10)8-14(16-15)13-3-4-19(17,18)9-13/h5-7,13-14,16H,3-4,8-9,15H2,1-2H3.
What are the key properties of [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine?
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).