N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine

C8H10BrNOS — CID 63624209

IUPACN-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
SMILESBrc1ccc(CNC2COC2)s1
InChIInChI=1S/C8H10BrNOS/c9-8-2-1-7(12-8)3-10-6-4-11-5-6/h1-2,6,10H,3-5H2
InChIKeyOAKKESSGKLKYGM-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.00
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine

N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine (PubChem CID 63624209) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
PubChem CID63624209
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
SMILESBrc1ccc(CNC2COC2)s1
InChIInChI=1S/C8H10BrNOS/c9-8-2-1-7(12-8)3-10-6-4-11-5-6/h1-2,6,10H,3-5H2
InChIKeyOAKKESSGKLKYGM-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine 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-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-4-chlorooxolan-3-amine
CID 131165706
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine (CID 63624209) is N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine is Brc1ccc(CNC2COC2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine?
The InChIKey is OAKKESSGKLKYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-8-2-1-7(12-8)3-10-6-4-11-5-6/h1-2,6,10H,3-5H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine?
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine has a molecular weight of 248.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 63624209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).