[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine

C11H19N3O2S — CID 105290849

IUPAC[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1ccc(C(CCCS(C)(=O)=O)NN)cn1
InChIInChI=1S/C11H19N3O2S/c1-9-5-6-10(8-13-9)11(14-12)4-3-7-17(2,15)16/h5-6,8,11,14H,3-4,7,12H2,1-2H3
InChIKeyZRCLSGFDZJUXDP-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.72
Rot. Bonds6

About [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine

[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105290849) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105290849
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
SMILESCc1ccc(C(CCCS(C)(=O)=O)NN)cn1
InChIInChI=1S/C11H19N3O2S/c1-9-5-6-10(8-13-9)11(14-12)4-3-7-17(2,15)16/h5-6,8,11,14H,3-4,7,12H2,1-2H3
InChIKeyZRCLSGFDZJUXDP-UHFFFAOYSA-N
XLogP0.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.72
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-(6-chloro-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105252974
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(4-ethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105197317
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
[3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propyl]hydrazine
CID 102929761
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
[1-(6-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297239
[2-(3,5-dimethylphenyl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105212680
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine (CID 105290849) is [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine is Cc1ccc(C(CCCS(C)(=O)=O)NN)cn1.
What is the InChIKey of [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is ZRCLSGFDZJUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-5-6-10(8-13-9)11(14-12)4-3-7-17(2,15)16/h5-6,8,11,14H,3-4,7,12H2,1-2H3.
What are the key properties of [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine?
[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 257.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105290849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).