N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide

C11H15BrN2S — CID 123260709

IUPACN'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
SMILESC/C(=N\Cc1ccccc1Br)NCCS
InChIInChI=1S/C11H15BrN2S/c1-9(13-6-7-15)14-8-10-4-2-3-5-11(10)12/h2-5,15H,6-8H2,1H3,(H,13,14)
InChIKeyPVHSFQQNNOZIQY-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.89
Rot. Bonds4

About N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide

N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide (PubChem CID 123260709) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
PubChem CID123260709
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC NameN'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide
SMILESC/C(=N\Cc1ccccc1Br)NCCS
InChIInChI=1S/C11H15BrN2S/c1-9(13-6-7-15)14-8-10-4-2-3-5-11(10)12/h2-5,15H,6-8H2,1H3,(H,13,14)
InChIKeyPVHSFQQNNOZIQY-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide 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-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322
2-[(2-bromophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912324
N-[(2-bromophenyl)methyl]-4-phenylbutan-2-imine
CID 159996667
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-[(2-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162310547
2-[(2-bromophenyl)methyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111045422
(NE)-N-[1-(2-bromophenyl)propan-2-ylidene]hydroxylamine
CID 89415418
N-amino-2-(2-bromophenyl)-N'-ethylethanimidamide
CID 164646497
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
4-[(2-bromophenyl)methylamino]-2-methylbutan-2-ol
CID 79360093

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide (CID 123260709) is N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide is C/C(=N\Cc1ccccc1Br)NCCS.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide?
The InChIKey is PVHSFQQNNOZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-9(13-6-7-15)14-8-10-4-2-3-5-11(10)12/h2-5,15H,6-8H2,1H3,(H,13,14).
What are the key properties of N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide?
N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide has a molecular weight of 287.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N-(2-sulfanylethyl)ethanimidamide is sourced from PubChem (CID 123260709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).