[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine

C15H23BrN2S — CID 105238114

IUPAC[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
SMILESNNC(CSc1ccccc1Br)C1CCCCCC1
InChIInChI=1S/C15H23BrN2S/c16-13-9-5-6-10-15(13)19-11-14(18-17)12-7-3-1-2-4-8-12/h5-6,9-10,12,14,18H,1-4,7-8,11,17H2
InChIKeyKYAWREBIJMZAPP-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.34
Rot. Bonds5

About [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine

[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine (PubChem CID 105238114) has the molecular formula C15H23BrN2S and a molecular weight of 343.33 g/mol. Its IUPAC name is [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
PubChem CID105238114
Molecular FormulaC15H23BrN2S
Molecular Weight343.33 g/mol
Exact Mass342.08
IUPAC Name[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
SMILESNNC(CSc1ccccc1Br)C1CCCCCC1
InChIInChI=1S/C15H23BrN2S/c16-13-9-5-6-10-15(13)19-11-14(18-17)12-7-3-1-2-4-8-12/h5-6,9-10,12,14,18H,1-4,7-8,11,17H2
InChIKeyKYAWREBIJMZAPP-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.34
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'}

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
[1-(2-bromophenyl)sulfanyl-3-cyclopentylpropan-2-yl]hydrazine
CID 105238071
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
2-(2-bromophenyl)sulfanylethylcyclooctane
CID 155054934
N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
(1-cycloheptyl-2-propan-2-ylsulfanylethyl)hydrazine
CID 105226066
(1-cyclohexyl-3-phenylpropyl)hydrazine
CID 105201730
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine (CID 105238114) is [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine is NNC(CSc1ccccc1Br)C1CCCCCC1.
What is the InChIKey of [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine?
The InChIKey is KYAWREBIJMZAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2S/c16-13-9-5-6-10-15(13)19-11-14(18-17)12-7-3-1-2-4-8-12/h5-6,9-10,12,14,18H,1-4,7-8,11,17H2.
What are the key properties of [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine?
[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine has a molecular weight of 343.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine is sourced from PubChem (CID 105238114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).