[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine

C13H22N2O2S — CID 105200654

IUPAC[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc(C)c1
InChIInChI=1S/C13H22N2O2S/c1-3-18(16,17)9-5-8-13(15-14)12-7-4-6-11(2)10-12/h4,6-7,10,13,15H,3,5,8-9,14H2,1-2H3
InChIKeyZHTDSOGLAVFNCR-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.71
Rot. Bonds7

About [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine

[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine (PubChem CID 105200654) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
PubChem CID105200654
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc(C)c1
InChIInChI=1S/C13H22N2O2S/c1-3-18(16,17)9-5-8-13(15-14)12-7-4-6-11(2)10-12/h4,6-7,10,13,15H,3,5,8-9,14H2,1-2H3
InChIKeyZHTDSOGLAVFNCR-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.71
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-(3-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105191911
[1-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310908
N,N-diethyl-3-hydrazinyl-3-(3-methylphenyl)propan-1-amine
CID 105244054
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[1-(3-methylphenyl)-3-propoxypropyl]hydrazine
CID 105284873
N-ethyl-1-(3-methylphenyl)-2-pentylsulfonylethanamine
CID 107758671
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[1-(3-methylphenyl)-3-phenoxypropyl]hydrazine
CID 105191420
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
4-ethylsulfonyl-2-(3-methylphenyl)butanoic acid
CID 79436746

Frequently Asked Questions

What is the IUPAC name of [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine?
The IUPAC name of [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine (CID 105200654) is [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine.
What is the SMILES notation for [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine?
The canonical SMILES for [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine is CCS(=O)(=O)CCCC(NN)c1cccc(C)c1.
What is the InChIKey of [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine?
The InChIKey is ZHTDSOGLAVFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-18(16,17)9-5-8-13(15-14)12-7-4-6-11(2)10-12/h4,6-7,10,13,15H,3,5,8-9,14H2,1-2H3.
What are the key properties of [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine?
[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine is sourced from PubChem (CID 105200654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).