[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine

C14H21FN2OS — CID 105227559

IUPAC[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(F)cc1C(CSC1CCCC1)NN
InChIInChI=1S/C14H21FN2OS/c1-18-14-7-6-10(15)8-12(14)13(17-16)9-19-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3
InChIKeyBARJJXMLBKYPND-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.01
Rot. Bonds6

About [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine

[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine (PubChem CID 105227559) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
PubChem CID105227559
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(F)cc1C(CSC1CCCC1)NN
InChIInChI=1S/C14H21FN2OS/c1-18-14-7-6-10(15)8-12(14)13(17-16)9-19-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3
InChIKeyBARJJXMLBKYPND-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.01
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-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105397841
[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105227548
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
[1-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105330779
[1-(4-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227859

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine (CID 105227559) is [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine is COc1ccc(F)cc1C(CSC1CCCC1)NN.
What is the InChIKey of [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine?
The InChIKey is BARJJXMLBKYPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-18-14-7-6-10(15)8-12(14)13(17-16)9-19-11-4-2-3-5-11/h6-8,11,13,17H,2-5,9,16H2,1H3.
What are the key properties of [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine?
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine has a molecular weight of 284.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105227559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).