[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine

C14H16N2OS — CID 102650251

IUPAC[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
SMILESNNC(C1=CCCCO1)c1csc2ccccc12
InChIInChI=1S/C14H16N2OS/c15-16-14(12-6-3-4-8-17-12)11-9-18-13-7-2-1-5-10(11)13/h1-2,5-7,9,14,16H,3-4,8,15H2
InChIKeyHLUNKBULAOORIE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.10
Rot. Bonds3

About [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine

[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine (PubChem CID 102650251) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
PubChem CID102650251
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
SMILESNNC(C1=CCCCO1)c1csc2ccccc12
InChIInChI=1S/C14H16N2OS/c15-16-14(12-6-3-4-8-17-12)11-9-18-13-7-2-1-5-10(11)13/h1-2,5-7,9,14,16H,3-4,8,15H2
InChIKeyHLUNKBULAOORIE-UHFFFAOYSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.10
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

N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
1-benzothiophen-3-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653017
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167
[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650276
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
2-[2,3-dihydrofuran-5-yl(hydrazinyl)methyl]aniline
CID 102654162
[3,4-dihydro-2H-pyran-6-yl(1,3-thiazol-5-yl)methyl]hydrazine
CID 102650090
[(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649888
[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]hydrazine
CID 105398126
[2,3-dihydrofuran-5-yl(thiophen-2-yl)methyl]hydrazine
CID 102654047
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine (CID 102650251) is [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine is NNC(C1=CCCCO1)c1csc2ccccc12.
What is the InChIKey of [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine?
The InChIKey is HLUNKBULAOORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-16-14(12-6-3-4-8-17-12)11-9-18-13-7-2-1-5-10(11)13/h1-2,5-7,9,14,16H,3-4,8,15H2.
What are the key properties of [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine?
[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine has a molecular weight of 260.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine is sourced from PubChem (CID 102650251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).