[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine

C13H22N2O2S — CID 105197317

IUPAC[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCCc1ccc(C(CCCS(C)(=O)=O)NN)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-11-6-8-12(9-7-11)13(15-14)5-4-10-18(2,16)17/h6-9,13,15H,3-5,10,14H2,1-2H3
InChIKeyDUPFVDGXMOXYGT-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.58
Rot. Bonds7

About [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine

[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105197317) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105197317
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCCc1ccc(C(CCCS(C)(=O)=O)NN)cc1
InChIInChI=1S/C13H22N2O2S/c1-3-11-6-8-12(9-7-11)13(15-14)5-4-10-18(2,16)17/h6-9,13,15H,3-5,10,14H2,1-2H3
InChIKeyDUPFVDGXMOXYGT-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.58
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

[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
1-(4-ethylphenyl)decylhydrazine
CID 105197366
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105252974
[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105290849
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
1-(4-ethylphenyl)oct-7-enylhydrazine
CID 107012388
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine (CID 105197317) is [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine is CCc1ccc(C(CCCS(C)(=O)=O)NN)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is DUPFVDGXMOXYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-11-6-8-12(9-7-11)13(15-14)5-4-10-18(2,16)17/h6-9,13,15H,3-5,10,14H2,1-2H3.
What are the key properties of [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine?
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105197317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).