[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine

C13H17BrN2OS — CID 105238050

IUPAC[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
SMILESNNC(CSc1ccccc1Br)C1=COCCC1
InChIInChI=1S/C13H17BrN2OS/c14-11-5-1-2-6-13(11)18-9-12(16-15)10-4-3-7-17-8-10/h1-2,5-6,8,12,16H,3-4,7,9,15H2
InChIKeyFJJKHABWUGHLAV-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.07
Rot. Bonds5

About [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine

[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine (PubChem CID 105238050) has the molecular formula C13H17BrN2OS and a molecular weight of 329.26 g/mol. Its IUPAC name is [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
PubChem CID105238050
Molecular FormulaC13H17BrN2OS
Molecular Weight329.26 g/mol
Exact Mass328.02
IUPAC Name[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
SMILESNNC(CSc1ccccc1Br)C1=COCCC1
InChIInChI=1S/C13H17BrN2OS/c14-11-5-1-2-6-13(11)18-9-12(16-15)10-4-3-7-17-8-10/h1-2,5-6,8,12,16H,3-4,7,9,15H2
InChIKeyFJJKHABWUGHLAV-UHFFFAOYSA-N
XLogP3.07
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.07
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-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfanylethyl]hydrazine
CID 105213767
[2-(2-chlorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
CID 105209440
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-methylethanamine
CID 106653490
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
[1-(3,4-dihydro-2H-pyran-5-yl)-3-pyridin-2-ylpropyl]hydrazine
CID 105333191
[2-(2-bromophenyl)sulfanyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105238032
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105333174
[2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105238066
[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
CID 105238114
[1-(2-bromophenyl)sulfanyl-3-cyclopentylpropan-2-yl]hydrazine
CID 105238071

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine (CID 105238050) is [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine is NNC(CSc1ccccc1Br)C1=COCCC1.
What is the InChIKey of [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine?
The InChIKey is FJJKHABWUGHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2OS/c14-11-5-1-2-6-13(11)18-9-12(16-15)10-4-3-7-17-8-10/h1-2,5-6,8,12,16H,3-4,7,9,15H2.
What are the key properties of [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine?
[2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine has a molecular weight of 329.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105238050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).