1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine

C13H20N2S — CID 105311558

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CCCc2sccc21
InChIInChI=1S/C13H20N2S/c1-2-3-6-12(15-14)10-5-4-7-13-11(10)8-9-16-13/h2,8-10,12,15H,1,3-7,14H2
InChIKeySDQQAPPCXSZDMZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.97
Rot. Bonds5

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine (PubChem CID 105311558) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
PubChem CID105311558
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CCCc2sccc21
InChIInChI=1S/C13H20N2S/c1-2-3-6-12(15-14)10-5-4-7-13-11(10)8-9-16-13/h2,8-10,12,15H,1,3-7,14H2
InChIKeySDQQAPPCXSZDMZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-5-en-1-amine
CID 105153267
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108662
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108253
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-amine
CID 105161337
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine (CID 105311558) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine is C=CCCC(NN)C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine?
The InChIKey is SDQQAPPCXSZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-3-6-12(15-14)10-5-4-7-13-11(10)8-9-16-13/h2,8-10,12,15H,1,3-7,14H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine is sourced from PubChem (CID 105311558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).