[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine

C14H21BrN2S — CID 105238366

IUPAC[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H21BrN2S/c15-12-7-4-8-13(9-12)18-10-14(17-16)11-5-2-1-3-6-11/h4,7-9,11,14,17H,1-3,5-6,10,16H2
InChIKeyMLUHLCCXCQULKD-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.95
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine (PubChem CID 105238366) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
PubChem CID105238366
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H21BrN2S/c15-12-7-4-8-13(9-12)18-10-14(17-16)11-5-2-1-3-6-11/h4,7-9,11,14,17H,1-3,5-6,10,16H2
InChIKeyMLUHLCCXCQULKD-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
CID 105238114
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
[2-(3-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethyl]hydrazine
CID 105238416
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine (CID 105238366) is [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine is NNC(CSc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine?
The InChIKey is MLUHLCCXCQULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c15-12-7-4-8-13(9-12)18-10-14(17-16)11-5-2-1-3-6-11/h4,7-9,11,14,17H,1-3,5-6,10,16H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine has a molecular weight of 329.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine is sourced from PubChem (CID 105238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).