N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine

C11H12BrNOS2 — CID 126833010

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine
SMILESCSc1ccc(CNCc2sccc2Br)o1
InChIInChI=1S/C11H12BrNOS2/c1-15-11-3-2-8(14-11)6-13-7-10-9(12)4-5-16-10/h2-5,13H,6-7H2,1H3
InChIKeyBFCKVMZFQZFGAO-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.12
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine (PubChem CID 126833010) has the molecular formula C11H12BrNOS2 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine
PubChem CID126833010
Molecular FormulaC11H12BrNOS2
Molecular Weight318.26 g/mol
Exact Mass316.95
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine
SMILESCSc1ccc(CNCc2sccc2Br)o1
InChIInChI=1S/C11H12BrNOS2/c1-15-11-3-2-8(14-11)6-13-7-10-9(12)4-5-16-10/h2-5,13H,6-7H2,1H3
InChIKeyBFCKVMZFQZFGAO-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine 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-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
5-[[(3-methylthiophen-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 115652805
1-(5-chlorofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78911556
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
CID 78943500
N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104756410
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
1-(3-bromothiophen-2-yl)-N-[(2-ethylpyrrolidin-2-yl)methyl]methanamine
CID 83072733
3-[[(3-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzonitrile
CID 107114690
N-[(3-bromothiophen-2-yl)methyl]-1-(3-chloro-2-fluorophenyl)methanamine
CID 115695957
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
N-[(3-bromothiophen-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 78989804
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine (CID 126833010) is N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine is CSc1ccc(CNCc2sccc2Br)o1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine?
The InChIKey is BFCKVMZFQZFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS2/c1-15-11-3-2-8(14-11)6-13-7-10-9(12)4-5-16-10/h2-5,13H,6-7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine is sourced from PubChem (CID 126833010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).