[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine

C14H20N4O2S — CID 105321777

IUPAC[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-18-9-8-16-14(18)10-13(17-15)11-4-6-12(7-5-11)21(2,19)20/h4-9,13,17H,3,10,15H2,1-2H3
InChIKeyJKBCEJLNEOXFKU-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.05
Rot. Bonds6

About [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine

[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (PubChem CID 105321777) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
PubChem CID105321777
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
SMILESCCn1ccnc1CC(NN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-18-9-8-16-14(18)10-13(17-15)11-4-6-12(7-5-11)21(2,19)20/h4-9,13,17H,3,10,15H2,1-2H3
InChIKeyJKBCEJLNEOXFKU-UHFFFAOYSA-N
XLogP1.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethylimidazol-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192874
[1-(6-chloro-3-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105253214
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
[2-(1-ethylimidazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105321910
(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol
CID 97243123
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
[1-(5-bromofuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321933
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
[1-(2-chlorofuran-3-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 106694577
[2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248555
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine (CID 105321777) is [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is CCn1ccnc1CC(NN)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
The InChIKey is JKBCEJLNEOXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-18-9-8-16-14(18)10-13(17-15)11-4-6-12(7-5-11)21(2,19)20/h4-9,13,17H,3,10,15H2,1-2H3.
What are the key properties of [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine?
[2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine has a molecular weight of 308.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylimidazol-2-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105321777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).