[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine

C16H22N2OS — CID 105227379

IUPAC[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCc1ccc2oc(C(CSC3CCCC3)NN)cc2c1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-15-12(8-11)9-16(19-15)14(18-17)10-20-13-4-2-3-5-13/h6-9,13-14,18H,2-5,10,17H2,1H3
InChIKeyBNNZQGDJESROLQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.92
Rot. Bonds5

About [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine

[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine (PubChem CID 105227379) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
PubChem CID105227379
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
SMILESCc1ccc2oc(C(CSC3CCCC3)NN)cc2c1
InChIInChI=1S/C16H22N2OS/c1-11-6-7-15-12(8-11)9-16(19-15)14(18-17)10-20-13-4-2-3-5-13/h6-9,13-14,18H,2-5,10,17H2,1H3
InChIKeyBNNZQGDJESROLQ-UHFFFAOYSA-N
XLogP3.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.92
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-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729027
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
CID 105269594
[2-ethoxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235203
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208272
[3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338315
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
1-(5-methyl-1-benzofuran-2-yl)hex-5-enylhydrazine
CID 105311268
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
[1-(5-methyl-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217797

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine?
The IUPAC name of [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine (CID 105227379) is [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine is Cc1ccc2oc(C(CSC3CCCC3)NN)cc2c1.
What is the InChIKey of [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine?
The InChIKey is BNNZQGDJESROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-7-15-12(8-11)9-16(19-15)14(18-17)10-20-13-4-2-3-5-13/h6-9,13-14,18H,2-5,10,17H2,1H3.
What are the key properties of [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine?
[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine has a molecular weight of 290.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105227379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).