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

C14H22N2O2S — CID 105292845

IUPAC[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
SMILESCCc1ccc(C(CC2CCS(=O)(=O)C2)NN)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-5-13(6-4-11)14(16-15)9-12-7-8-19(17,18)10-12/h3-6,12,14,16H,2,7-10,15H2,1H3
InChIKeyQAPHMWAEEDKTMJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds5

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

[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine (PubChem CID 105292845) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
PubChem CID105292845
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
SMILESCCc1ccc(C(CC2CCS(=O)(=O)C2)NN)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-5-13(6-4-11)14(16-15)9-12-7-8-19(17,18)10-12/h3-6,12,14,16H,2,7-10,15H2,1H3
InChIKeyQAPHMWAEEDKTMJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethanamine
CID 105121790
[2-cyclopropyl-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197252
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 105095465
[2-(1,1-dioxothiolan-3-yl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105305688
[2-(1,1-dioxothiolan-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105302170
[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105304658
[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105329744
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168878
[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307419
1-(3,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 105140351
N-[1-(4-ethylphenyl)propyl]-1,1-dioxothian-3-amine
CID 63923514

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine (CID 105292845) is [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine is CCc1ccc(C(CC2CCS(=O)(=O)C2)NN)cc1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine?
The InChIKey is QAPHMWAEEDKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11-3-5-13(6-4-11)14(16-15)9-12-7-8-19(17,18)10-12/h3-6,12,14,16H,2,7-10,15H2,1H3.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine has a molecular weight of 282.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105292845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).