[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine

C14H24N2O2S2 — CID 105310870

IUPAC[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1CCCc2sccc21
InChIInChI=1S/C14H24N2O2S2/c1-2-20(17,18)10-4-6-13(16-15)11-5-3-7-14-12(11)8-9-19-14/h8-9,11,13,16H,2-7,10,15H2,1H3
InChIKeyFHSJYEZVMQBRQK-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.21
Rot. Bonds7

About [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine

[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine (PubChem CID 105310870) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
PubChem CID105310870
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
SMILESCCS(=O)(=O)CCCC(NN)C1CCCc2sccc21
InChIInChI=1S/C14H24N2O2S2/c1-2-20(17,18)10-4-6-13(16-15)11-5-3-7-14-12(11)8-9-19-14/h8-9,11,13,16H,2-7,10,15H2,1H3
InChIKeyFHSJYEZVMQBRQK-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.21
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

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hex-5-en-1-amine
CID 105153267
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)octan-1-amine
CID 105124704
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105157791
[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105315787

Frequently Asked Questions

What is the IUPAC name of [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine?
The IUPAC name of [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine (CID 105310870) is [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine.
What is the SMILES notation for [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine?
The canonical SMILES for [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine is CCS(=O)(=O)CCCC(NN)C1CCCc2sccc21.
What is the InChIKey of [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine?
The InChIKey is FHSJYEZVMQBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-2-20(17,18)10-4-6-13(16-15)11-5-3-7-14-12(11)8-9-19-14/h8-9,11,13,16H,2-7,10,15H2,1H3.
What are the key properties of [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine?
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine has a molecular weight of 316.49 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine is sourced from PubChem (CID 105310870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).