[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine

C13H22N2O2S — CID 105290938

IUPAC[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1cc(C)cc(C(CCCS(C)(=O)=O)NN)c1
InChIInChI=1S/C13H22N2O2S/c1-10-7-11(2)9-12(8-10)13(15-14)5-4-6-18(3,16)17/h7-9,13,15H,4-6,14H2,1-3H3
InChIKeyZQMRKGRMTBXRKN-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.63
Rot. Bonds6

About [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine

[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105290938) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105290938
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1cc(C)cc(C(CCCS(C)(=O)=O)NN)c1
InChIInChI=1S/C13H22N2O2S/c1-10-7-11(2)9-12(8-10)13(15-14)5-4-6-18(3,16)17/h7-9,13,15H,4-6,14H2,1-3H3
InChIKeyZQMRKGRMTBXRKN-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.63
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-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
1-(3-bromo-5-methylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820343
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105290849
[4-ethylsulfonyl-1-(3-methylphenyl)butyl]hydrazine
CID 105200654
[1-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105252974
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
[1-(3,5-dimethylphenyl)-3-methoxypropyl]hydrazine
CID 105206512
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine (CID 105290938) is [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine is Cc1cc(C)cc(C(CCCS(C)(=O)=O)NN)c1.
What is the InChIKey of [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is ZQMRKGRMTBXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-7-11(2)9-12(8-10)13(15-14)5-4-6-18(3,16)17/h7-9,13,15H,4-6,14H2,1-3H3.
What are the key properties of [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine?
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105290938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).