[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine

C13H17FN2O2S2 — CID 105290885

IUPAC[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H17FN2O2S2/c1-20(17,18)6-2-3-11(16-15)13-7-9-4-5-10(14)8-12(9)19-13/h4-5,7-8,11,16H,2-3,6,15H2,1H3
InChIKeyYFSPCECTMPSNJX-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.37
Rot. Bonds6

About [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine

[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105290885) has the molecular formula C13H17FN2O2S2 and a molecular weight of 316.42 g/mol. Its IUPAC name is [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105290885
Molecular FormulaC13H17FN2O2S2
Molecular Weight316.42 g/mol
Exact Mass316.07
IUPAC Name[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
SMILESCS(=O)(=O)CCCC(NN)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H17FN2O2S2/c1-20(17,18)6-2-3-11(16-15)13-7-9-4-5-10(14)8-12(9)19-13/h4-5,7-8,11,16H,2-3,6,15H2,1H3
InChIKeyYFSPCECTMPSNJX-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.37
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-fluoro-1-benzothiophen-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115820928
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
[1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306761
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
[1-(6-fluoro-1-benzothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314280
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine (CID 105290885) is [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine is CS(=O)(=O)CCCC(NN)c1cc2ccc(F)cc2s1.
What is the InChIKey of [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is YFSPCECTMPSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S2/c1-20(17,18)6-2-3-11(16-15)13-7-9-4-5-10(14)8-12(9)19-13/h4-5,7-8,11,16H,2-3,6,15H2,1H3.
What are the key properties of [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine?
[1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 316.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105290885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).