[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

C14H24N2O2S — CID 105287993

IUPAC[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCCc1ccc(CC(NN)C(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-11-6-8-12(9-7-11)10-13(16-15)14(2,3)19(4,17)18/h6-9,13,16H,5,10,15H2,1-4H3
InChIKeyXDYIDLKZCWTGAG-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.45
Rot. Bonds6

About [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine

[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105287993) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105287993
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCCc1ccc(CC(NN)C(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-11-6-8-12(9-7-11)10-13(16-15)14(2,3)19(4,17)18/h6-9,13,16H,5,10,15H2,1-4H3
InChIKeyXDYIDLKZCWTGAG-UHFFFAOYSA-N
XLogP1.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.45
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

[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105329655
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115818488
[2-methyl-2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
CID 105303910
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
N,3-dimethyl-3-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115830913

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine (CID 105287993) is [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is CCc1ccc(CC(NN)C(C)(C)S(C)(=O)=O)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is XDYIDLKZCWTGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-11-6-8-12(9-7-11)10-13(16-15)14(2,3)19(4,17)18/h6-9,13,16H,5,10,15H2,1-4H3.
What are the key properties of [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine?
[1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 284.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105287993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).