[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine

C9H12Br2N2O2S2 — CID 113284428

IUPAC[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-3-1-2-6(13)5-12/h4,6H,1-3,5,12H2
InChIKeyODPAKHPOCHOLMO-UHFFFAOYSA-N
MW404.15 g/mol
LogP2.38
Rot. Bonds3

About [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine

[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 113284428) has the molecular formula C9H12Br2N2O2S2 and a molecular weight of 404.15 g/mol. Its IUPAC name is [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID113284428
Molecular FormulaC9H12Br2N2O2S2
Molecular Weight404.15 g/mol
Exact Mass401.87
IUPAC Name[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-3-1-2-6(13)5-12/h4,6H,1-3,5,12H2
InChIKeyODPAKHPOCHOLMO-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-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

[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988663
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
1-[(2S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574930
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
[1-(4-bromo-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988924

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine (CID 113284428) is [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is ODPAKHPOCHOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O2S2/c10-8-4-7(9(11)16-8)17(14,15)13-3-1-2-6(13)5-12/h4,6H,1-3,5,12H2.
What are the key properties of [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine?
[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 404.15 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113284428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).