1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine

C14H20N2S — CID 105334885

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H20N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h10,12,16H,4-9,15H2,1H3
InChIKeyGRWWHACOXPHBRH-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.93
Rot. Bonds4

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine (PubChem CID 105334885) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
PubChem CID105334885
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cc2c(s1)CCCC2
InChIInChI=1S/C14H20N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h10,12,16H,4-9,15H2,1H3
InChIKeyGRWWHACOXPHBRH-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.93
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347
[2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105287656
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
CID 105289523
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115820000
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026377
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-enylhydrazine
CID 105311280

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine (CID 105334885) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine is CC#CCCC(NN)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The InChIKey is GRWWHACOXPHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h10,12,16H,4-9,15H2,1H3.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine has a molecular weight of 248.39 g/mol, XLogP of 2.93, 4 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-2-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 105334885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).