2-(2,5-dibromothiophen-3-yl)azepane

C10H13Br2NS — CID 107959791

IUPAC2-(2,5-dibromothiophen-3-yl)azepane
SMILESBrc1cc(C2CCCCCN2)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c11-9-6-7(10(12)14-9)8-4-2-1-3-5-13-8/h6,8,13H,1-5H2
InChIKeyHRPFFCCXVWNEEZ-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.48
Rot. Bonds1

About 2-(2,5-dibromothiophen-3-yl)azepane

2-(2,5-dibromothiophen-3-yl)azepane (PubChem CID 107959791) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)azepane.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)azepane
PubChem CID107959791
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name2-(2,5-dibromothiophen-3-yl)azepane
SMILESBrc1cc(C2CCCCCN2)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c11-9-6-7(10(12)14-9)8-4-2-1-3-5-13-8/h6,8,13H,1-5H2
InChIKeyHRPFFCCXVWNEEZ-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dibromothiophen-3-yl)azepane 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

(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
CID 130690046
2-(2,4-dibromophenyl)azepane
CID 107938538
6-bromo-2-[(2S)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 141428600
4-bromo-2-piperidin-2-ylphenol
CID 82623427
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)azepane?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)azepane (CID 107959791) is 2-(2,5-dibromothiophen-3-yl)azepane.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)azepane?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)azepane is Brc1cc(C2CCCCCN2)c(Br)s1.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)azepane?
The InChIKey is HRPFFCCXVWNEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NS/c11-9-6-7(10(12)14-9)8-4-2-1-3-5-13-8/h6,8,13H,1-5H2.
What are the key properties of 2-(2,5-dibromothiophen-3-yl)azepane?
2-(2,5-dibromothiophen-3-yl)azepane has a molecular weight of 339.10 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)azepane is sourced from PubChem (CID 107959791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).