1-(1-benzothiophen-3-yl)butan-2-ylhydrazine

C12H16N2S — CID 105201011

IUPAC1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
SMILESCCC(Cc1csc2ccccc12)NN
InChIInChI=1S/C12H16N2S/c1-2-10(14-13)7-9-8-15-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
InChIKeyDNKARNJCOJRQMX-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine

1-(1-benzothiophen-3-yl)butan-2-ylhydrazine (PubChem CID 105201011) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
PubChem CID105201011
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
SMILESCCC(Cc1csc2ccccc12)NN
InChIInChI=1S/C12H16N2S/c1-2-10(14-13)7-9-8-15-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
InChIKeyDNKARNJCOJRQMX-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
[2-(1-benzothiophen-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105291757
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine?
The IUPAC name of 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine (CID 105201011) is 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine is CCC(Cc1csc2ccccc12)NN.
What is the InChIKey of 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine?
The InChIKey is DNKARNJCOJRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-10(14-13)7-9-8-15-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine?
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine has a molecular weight of 220.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)butan-2-ylhydrazine is sourced from PubChem (CID 105201011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).