[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine

C13H22N2O3S — CID 105204960

IUPAC[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
SMILESCOc1ccccc1CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C13H22N2O3S/c1-18-13-8-4-3-6-11(13)10-12(15-14)7-5-9-19(2,16)17/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3
InChIKeyZYBGJGBSCAPRCG-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds8

About [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine

[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine (PubChem CID 105204960) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
PubChem CID105204960
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
SMILESCOc1ccccc1CC(CCCS(C)(=O)=O)NN
InChIInChI=1S/C13H22N2O3S/c1-18-13-8-4-3-6-11(13)10-12(15-14)7-5-9-19(2,16)17/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3
InChIKeyZYBGJGBSCAPRCG-UHFFFAOYSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211443
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
[1-(2-methoxyphenyl)-5,5-dimethylhexan-2-yl]hydrazine
CID 105205034
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
1-[2-(bromomethyl)-4-methylsulfonylbutyl]-2-methoxybenzene
CID 66041153
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796
[1-(2-methoxyphenyl)-4-methylheptan-2-yl]hydrazine
CID 105205005
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105289511
[1-(3,5-difluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105206803
(6-methylsulfonyl-1-pyridin-2-ylhexan-3-yl)hydrazine
CID 105290925

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine (CID 105204960) is [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine is COc1ccccc1CC(CCCS(C)(=O)=O)NN.
What is the InChIKey of [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine?
The InChIKey is ZYBGJGBSCAPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-13-8-4-3-6-11(13)10-12(15-14)7-5-9-19(2,16)17/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine?
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine is sourced from PubChem (CID 105204960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).