(2S)-2-(4,5-dibromothiophen-2-yl)piperidine

C9H11Br2NS — CID 130690046

IUPAC(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
SMILESBrc1cc([C@@H]2CCCCN2)sc1Br
InChIInChI=1S/C9H11Br2NS/c10-6-5-8(13-9(6)11)7-3-1-2-4-12-7/h5,7,12H,1-4H2/t7-/m0/s1
InChIKeyMTMNPCQNRRHMJJ-ZETCQYMHSA-N
MW325.07 g/mol
LogP4.09
Rot. Bonds1

About (2S)-2-(4,5-dibromothiophen-2-yl)piperidine

(2S)-2-(4,5-dibromothiophen-2-yl)piperidine (PubChem CID 130690046) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is (2S)-2-(4,5-dibromothiophen-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
PubChem CID130690046
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Name(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
SMILESBrc1cc([C@@H]2CCCCN2)sc1Br
InChIInChI=1S/C9H11Br2NS/c10-6-5-8(13-9(6)11)7-3-1-2-4-12-7/h5,7,12H,1-4H2/t7-/m0/s1
InChIKeyMTMNPCQNRRHMJJ-ZETCQYMHSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
CID 131001434
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
2-(2,5-dibromothiophen-3-yl)azepane
CID 107959791
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
2-(5-methoxythiophen-2-yl)piperidine
CID 130164086
(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
CID 171197221
(2S)-2-thiophen-2-ylpiperidine
CID 7022116
5-bromo-3-chloro-2-[(2R)-piperidin-2-yl]pyridine
CID 130713607
2-(2,4-dibromophenyl)azepane
CID 107938538
5-pyrrolidin-2-ylthiophen-2-amine
CID 130002425
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dibromothiophen-2-yl)piperidine?
The IUPAC name of (2S)-2-(4,5-dibromothiophen-2-yl)piperidine (CID 130690046) is (2S)-2-(4,5-dibromothiophen-2-yl)piperidine.
What is the SMILES notation for (2S)-2-(4,5-dibromothiophen-2-yl)piperidine?
The canonical SMILES for (2S)-2-(4,5-dibromothiophen-2-yl)piperidine is Brc1cc([C@@H]2CCCCN2)sc1Br.
What is the InChIKey of (2S)-2-(4,5-dibromothiophen-2-yl)piperidine?
The InChIKey is MTMNPCQNRRHMJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11Br2NS/c10-6-5-8(13-9(6)11)7-3-1-2-4-12-7/h5,7,12H,1-4H2/t7-/m0/s1.
What are the key properties of (2S)-2-(4,5-dibromothiophen-2-yl)piperidine?
(2S)-2-(4,5-dibromothiophen-2-yl)piperidine has a molecular weight of 325.07 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dibromothiophen-2-yl)piperidine is sourced from PubChem (CID 130690046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).