[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine

C15H20N4S — CID 105249896

IUPAC[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1cccc2ccsc12)C1CN2CCN1CC2
InChIInChI=1S/C15H20N4S/c16-17-14(13-10-18-5-7-19(13)8-6-18)12-3-1-2-11-4-9-20-15(11)12/h1-4,9,13-14,17H,5-8,10,16H2
InChIKeyAULNZHFCSODYDR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.41
Rot. Bonds3

About [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine

[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (PubChem CID 105249896) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
PubChem CID105249896
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
SMILESNNC(c1cccc2ccsc12)C1CN2CCN1CC2
InChIInChI=1S/C15H20N4S/c16-17-14(13-10-18-5-7-19(13)8-6-18)12-3-1-2-11-4-9-20-15(11)12/h1-4,9,13-14,17H,5-8,10,16H2
InChIKeyAULNZHFCSODYDR-UHFFFAOYSA-N
XLogP1.41
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.41
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

3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
[1-benzothiophen-7-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210240
[(2-cyclobutylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249907
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[1,4-diazabicyclo[2.2.2]octan-2-yl-(3-methylphenyl)methyl]hydrazine
CID 105249950
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215616
[1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250081
[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 106765337
[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-dimethoxyphenyl)methyl]hydrazine
CID 105250112
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine (CID 105249896) is [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is NNC(c1cccc2ccsc12)C1CN2CCN1CC2.
What is the InChIKey of [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
The InChIKey is AULNZHFCSODYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-17-14(13-10-18-5-7-19(13)8-6-18)12-3-1-2-11-4-9-20-15(11)12/h1-4,9,13-14,17H,5-8,10,16H2.
What are the key properties of [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine?
[1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine has a molecular weight of 288.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).