N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine

C8H11Br2NOS — CID 63982243

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C8H11Br2NOS/c1-13-3-2-11-5-6-4-7(9)8(10)12-6/h4,11H,2-3,5H2,1H3
InChIKeyHXGWYSRUGIEIHB-UHFFFAOYSA-N
MW329.06 g/mol
LogP3.26
Rot. Bonds5

About N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine (PubChem CID 63982243) has the molecular formula C8H11Br2NOS and a molecular weight of 329.06 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
PubChem CID63982243
Molecular FormulaC8H11Br2NOS
Molecular Weight329.06 g/mol
Exact Mass326.89
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1cc(Br)c(Br)o1
InChIInChI=1S/C8H11Br2NOS/c1-13-3-2-11-5-6-4-7(9)8(10)12-6/h4,11H,2-3,5H2,1H3
InChIKeyHXGWYSRUGIEIHB-UHFFFAOYSA-N
XLogP3.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.06
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine 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

N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62085345
N-[(3,4-dibromophenyl)methyl]-2-methylsulfanylethanamine
CID 115692957
4-[(4,5-dibromofuran-2-yl)methylamino]butanoic acid
CID 62083449
N-[(4,5-dibromofuran-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62604246
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
N-[(4,5-dibromofuran-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55032641
3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
CID 62083451
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65232025
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylsulfanylethanamine
CID 60658246
N-[(4,5-dibromofuran-2-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81171216

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine (CID 63982243) is N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine is CSCCNCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine?
The InChIKey is HXGWYSRUGIEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NOS/c1-13-3-2-11-5-6-4-7(9)8(10)12-6/h4,11H,2-3,5H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine has a molecular weight of 329.06 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 63982243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).