[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine

C14H20N2OS — CID 105291750

IUPAC[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1csc2ccccc12)NN
InChIInChI=1S/C14H20N2OS/c1-2-17-8-7-12(16-15)9-11-10-18-14-6-4-3-5-13(11)14/h3-6,10,12,16H,2,7-9,15H2,1H3
InChIKeyKOKMPAKJFYLYDO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.70
Rot. Bonds7

About [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine

[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine (PubChem CID 105291750) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
PubChem CID105291750
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
SMILESCCOCCC(Cc1csc2ccccc12)NN
InChIInChI=1S/C14H20N2OS/c1-2-17-8-7-12(16-15)9-11-10-18-14-6-4-3-5-13(11)14/h3-6,10,12,16H,2,7-9,15H2,1H3
InChIKeyKOKMPAKJFYLYDO-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)butan-2-ylhydrazine
CID 105201011
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-one
CID 105084973
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102
[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

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine (CID 105291750) is [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine is CCOCCC(Cc1csc2ccccc12)NN.
What is the InChIKey of [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine?
The InChIKey is KOKMPAKJFYLYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-17-8-7-12(16-15)9-11-10-18-14-6-4-3-5-13(11)14/h3-6,10,12,16H,2,7-9,15H2,1H3.
What are the key properties of [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine?
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine has a molecular weight of 264.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105291750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).