[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine

C13H16N2OS — CID 105337847

IUPAC[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)C1CCSC1
InChIInChI=1S/C13H16N2OS/c14-15-13(10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-4,7,10,13,15H,5-6,8,14H2
InChIKeyOKUKOWNGFQECIJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.69
Rot. Bonds3

About [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine

[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine (PubChem CID 105337847) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
PubChem CID105337847
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
SMILESNNC(c1cc2ccccc2o1)C1CCSC1
InChIInChI=1S/C13H16N2OS/c14-15-13(10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-4,7,10,13,15H,5-6,8,14H2
InChIKeyOKUKOWNGFQECIJ-UHFFFAOYSA-N
XLogP2.69
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.69
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

[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
[1-benzofuran-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105218333
[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
CID 105286981
[1-benzofuran-2-yl-(2-phenylcyclopropyl)methyl]hydrazine
CID 105218477
1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 114730013
[1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105263056
[1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250125
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
[(4-chlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105281249
(4S)-N-[(S)-1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 95908740
N-[1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 75375667
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063

Frequently Asked Questions

What is the IUPAC name of [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine?
The IUPAC name of [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine (CID 105337847) is [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine?
The canonical SMILES for [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine is NNC(c1cc2ccccc2o1)C1CCSC1.
What is the InChIKey of [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine?
The InChIKey is OKUKOWNGFQECIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-15-13(10-5-6-17-8-10)12-7-9-3-1-2-4-11(9)16-12/h1-4,7,10,13,15H,5-6,8,14H2.
What are the key properties of [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine?
[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine has a molecular weight of 248.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105337847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).