[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine

C16H22N2O2S — CID 105276799

IUPAC[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2cccc3ccsc23)CCOCC1
InChIInChI=1S/C16H22N2O2S/c1-2-20-16(7-9-19-10-8-16)15(18-17)13-5-3-4-12-6-11-21-14(12)13/h3-6,11,15,18H,2,7-10,17H2,1H3
InChIKeyHNJCIYQSNWXJPY-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.99
Rot. Bonds5

About [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine

[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine (PubChem CID 105276799) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
PubChem CID105276799
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
SMILESCCOC1(C(NN)c2cccc3ccsc23)CCOCC1
InChIInChI=1S/C16H22N2O2S/c1-2-20-16(7-9-19-10-8-16)15(18-17)13-5-3-4-12-6-11-21-14(12)13/h3-6,11,15,18H,2,7-10,17H2,1H3
InChIKeyHNJCIYQSNWXJPY-UHFFFAOYSA-N
XLogP2.99
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.99
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

[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
CID 116770542
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105276862
[2,3-dihydro-1-benzofuran-7-yl-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276436
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
[(2,3-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276240
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine (CID 105276799) is [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine is CCOC1(C(NN)c2cccc3ccsc23)CCOCC1.
What is the InChIKey of [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine?
The InChIKey is HNJCIYQSNWXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-20-16(7-9-19-10-8-16)15(18-17)13-5-3-4-12-6-11-21-14(12)13/h3-6,11,15,18H,2,7-10,17H2,1H3.
What are the key properties of [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine?
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine has a molecular weight of 306.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 105276799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).