[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine

C15H26N2O2S — CID 105310803

IUPAC[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCc1ccccc1C)NN
InChIInChI=1S/C15H26N2O2S/c1-3-20(18,19)12-6-9-15(17-16)11-10-14-8-5-4-7-13(14)2/h4-5,7-8,15,17H,3,6,9-12,16H2,1-2H3
InChIKeyKVKQPCIFEYIIEP-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.97
Rot. Bonds9

About [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine

[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine (PubChem CID 105310803) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
PubChem CID105310803
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
SMILESCCS(=O)(=O)CCCC(CCc1ccccc1C)NN
InChIInChI=1S/C15H26N2O2S/c1-3-20(18,19)12-6-9-15(17-16)11-10-14-8-5-4-7-13(14)2/h4-5,7-8,15,17H,3,6,9-12,16H2,1-2H3
InChIKeyKVKQPCIFEYIIEP-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.97
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

5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
[6-ethylsulfonyl-1-(4-methoxyphenyl)hexan-3-yl]hydrazine
CID 105310787
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858
[1-cyclopropyl-5-(2-methylphenyl)pentan-3-yl]hydrazine
CID 105315024
1-(2-methylphenyl)hex-5-en-3-ylhydrazine
CID 105289536
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146

Frequently Asked Questions

What is the IUPAC name of [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine?
The IUPAC name of [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine (CID 105310803) is [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine.
What is the SMILES notation for [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine?
The canonical SMILES for [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine is CCS(=O)(=O)CCCC(CCc1ccccc1C)NN.
What is the InChIKey of [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine?
The InChIKey is KVKQPCIFEYIIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-20(18,19)12-6-9-15(17-16)11-10-14-8-5-4-7-13(14)2/h4-5,7-8,15,17H,3,6,9-12,16H2,1-2H3.
What are the key properties of [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine?
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine has a molecular weight of 298.45 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine is sourced from PubChem (CID 105310803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).