1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine

C11H16Br2N2O2S2 — CID 55169537

IUPAC1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2O2S2/c1-7(14)8-4-2-3-5-15(8)19(16,17)9-6-10(12)18-11(9)13/h6-8H,2-5,14H2,1H3
InChIKeyCJCIOGLNRYGULG-UHFFFAOYSA-N
MW432.20 g/mol
LogP3.16
Rot. Bonds3

About 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine

1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 55169537) has the molecular formula C11H16Br2N2O2S2 and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID55169537
Molecular FormulaC11H16Br2N2O2S2
Molecular Weight432.20 g/mol
Exact Mass429.90
IUPAC Name1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2N2O2S2/c1-7(14)8-4-2-3-5-15(8)19(16,17)9-6-10(12)18-11(9)13/h6-8H,2-5,14H2,1H3
InChIKeyCJCIOGLNRYGULG-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 113284428
[1-(2,5-dibromothiophen-3-yl)sulfonylazepan-2-yl]methanol
CID 116636696
1-[1-(4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 120762879
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine (CID 55169537) is 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is CJCIOGLNRYGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S2/c1-7(14)8-4-2-3-5-15(8)19(16,17)9-6-10(12)18-11(9)13/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine?
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 432.20 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 55169537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).