[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine

C14H24N2O3S — CID 105333051

IUPAC[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCOc1cc(C)c(C(NN)C(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H24N2O3S/c1-9-8-12(19-5)10(2)7-11(9)13(16-15)14(3,4)20(6,17)18/h7-8,13,16H,15H2,1-6H3
InChIKeyOKWQLNDAPOXMSW-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.64
Rot. Bonds5

About [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine

[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine (PubChem CID 105333051) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
PubChem CID105333051
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCOc1cc(C)c(C(NN)C(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H24N2O3S/c1-9-8-12(19-5)10(2)7-11(9)13(16-15)14(3,4)20(6,17)18/h7-8,13,16H,15H2,1-6H3
InChIKeyOKWQLNDAPOXMSW-UHFFFAOYSA-N
XLogP1.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.64
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-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105032850
[1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 103436398
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
[2,2-dimethyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105203122
[1-(2,5-dichlorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105302110
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
[(4-methoxy-2,5-dimethylphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253560
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
[(3-chloro-4-iodophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 103217745
[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]hydrazine
CID 105332991
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine (CID 105333051) is [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine is COc1cc(C)c(C(NN)C(C)(C)S(C)(=O)=O)cc1C.
What is the InChIKey of [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The InChIKey is OKWQLNDAPOXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9-8-12(19-5)10(2)7-11(9)13(16-15)14(3,4)20(6,17)18/h7-8,13,16H,15H2,1-6H3.
What are the key properties of [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine has a molecular weight of 300.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105333051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).