[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine

C15H23BrN2OS — CID 105227494

IUPAC[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
SMILESCOc1ccc(Br)c(CC(CSC2CCCC2)NN)c1
InChIInChI=1S/C15H23BrN2OS/c1-19-13-6-7-15(16)11(9-13)8-12(18-17)10-20-14-4-2-3-5-14/h6-7,9,12,14,18H,2-5,8,10,17H2,1H3
InChIKeyZGYMVOKMGUTNPH-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.51
Rot. Bonds7

About [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine

[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine (PubChem CID 105227494) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
PubChem CID105227494
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
SMILESCOc1ccc(Br)c(CC(CSC2CCCC2)NN)c1
InChIInChI=1S/C15H23BrN2OS/c1-19-13-6-7-15(16)11(9-13)8-12(18-17)10-20-14-4-2-3-5-14/h6-7,9,12,14,18H,2-5,8,10,17H2,1H3
InChIKeyZGYMVOKMGUTNPH-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.51
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-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217513

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine (CID 105227494) is [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine is COc1ccc(Br)c(CC(CSC2CCCC2)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The InChIKey is ZGYMVOKMGUTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c1-19-13-6-7-15(16)11(9-13)8-12(18-17)10-20-14-4-2-3-5-14/h6-7,9,12,14,18H,2-5,8,10,17H2,1H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine has a molecular weight of 359.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105227494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).