[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine

C11H17BrN2OS — CID 105229739

IUPAC[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)C1CCOCC1
InChIInChI=1S/C11H17BrN2OS/c12-9-5-10(16-7-9)6-11(14-13)8-1-3-15-4-2-8/h5,7-8,11,14H,1-4,6,13H2
InChIKeyNWDJSPODJLGPDI-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.31
Rot. Bonds4

About [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine (PubChem CID 105229739) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
PubChem CID105229739
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)C1CCOCC1
InChIInChI=1S/C11H17BrN2OS/c12-9-5-10(16-7-9)6-11(14-13)8-1-3-15-4-2-8/h5,7-8,11,14H,1-4,6,13H2
InChIKeyNWDJSPODJLGPDI-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
[1-(oxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211809
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
[2-(5-ethylthiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229678
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
[2-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229545
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 106868666
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine (CID 105229739) is [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine is NNC(Cc1cc(Br)cs1)C1CCOCC1.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine?
The InChIKey is NWDJSPODJLGPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c12-9-5-10(16-7-9)6-11(14-13)8-1-3-15-4-2-8/h5,7-8,11,14H,1-4,6,13H2.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine has a molecular weight of 305.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromothiophen-2-yl)-1-(oxan-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105229739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).