[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine

C11H14N2O3S — CID 105337838

IUPAC[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
SMILESCS(=O)(=O)CC(NN)c1cc2ccccc2o1
InChIInChI=1S/C11H14N2O3S/c1-17(14,15)7-9(13-12)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,13H,7,12H2,1H3
InChIKeyIKLZHRQUYQJCSU-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.98
Rot. Bonds4

About [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine

[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine (PubChem CID 105337838) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
PubChem CID105337838
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine
SMILESCS(=O)(=O)CC(NN)c1cc2ccccc2o1
InChIInChI=1S/C11H14N2O3S/c1-17(14,15)7-9(13-12)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,13H,7,12H2,1H3
InChIKeyIKLZHRQUYQJCSU-UHFFFAOYSA-N
XLogP0.98
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.98
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-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
[1-(1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
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1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
methyl 2-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfonylacetate
CID 64674569
[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
[1-(1-benzofuran-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105218318
[1-(1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260307
[1-(1-benzofuran-2-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105337807
[1-(1-benzofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477764

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine?
The IUPAC name of [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine (CID 105337838) is [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine.
What is the SMILES notation for [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine?
The canonical SMILES for [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine is CS(=O)(=O)CC(NN)c1cc2ccccc2o1.
What is the InChIKey of [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine?
The InChIKey is IKLZHRQUYQJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17(14,15)7-9(13-12)11-6-8-4-2-3-5-10(8)16-11/h2-6,9,13H,7,12H2,1H3.
What are the key properties of [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine?
[1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine has a molecular weight of 254.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-2-yl)-2-methylsulfonylethyl]hydrazine is sourced from PubChem (CID 105337838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).