[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine

C12H20N2O2S — CID 105292563

IUPAC[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCc1ccc(C)c(C(NN)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O2S/c1-8-5-6-9(2)11(7-8)12(14-13)10(3)17(4,15)16/h5-7,10,12,14H,13H2,1-4H3
InChIKeyUYWHMFKCNVHTME-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.24
Rot. Bonds4

About [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine

[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine (PubChem CID 105292563) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
PubChem CID105292563
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCc1ccc(C)c(C(NN)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H20N2O2S/c1-8-5-6-9(2)11(7-8)12(14-13)10(3)17(4,15)16/h5-7,10,12,14H,13H2,1-4H3
InChIKeyUYWHMFKCNVHTME-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.24
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-(2,5-dimethylphenyl)-2,3-dimethylbutyl]hydrazine
CID 105292596
[2-methylsulfonyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 102760037
[2-methylsulfonyl-1-(2-methylthiophen-3-yl)propyl]hydrazine
CID 102843358
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
1-(2,5-dimethylphenyl)ethyl methanesulfonate
CID 102620749
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
[1-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 104519964
[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105323905

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine (CID 105292563) is [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine is Cc1ccc(C)c(C(NN)C(C)S(C)(=O)=O)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine?
The InChIKey is UYWHMFKCNVHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-5-6-9(2)11(7-8)12(14-13)10(3)17(4,15)16/h5-7,10,12,14H,13H2,1-4H3.
What are the key properties of [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine?
[1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine has a molecular weight of 256.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105292563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).