1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine

C9H11Br2NO2S2 — CID 2740329

IUPAC1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N1CCCCC1
InChIInChI=1S/C9H11Br2NO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyPPQFWXJOSMDUJW-UHFFFAOYSA-N
MW389.13 g/mol
LogP3.45
Rot. Bonds2

About 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine

1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine (PubChem CID 2740329) has the molecular formula C9H11Br2NO2S2 and a molecular weight of 389.13 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine
PubChem CID2740329
Molecular FormulaC9H11Br2NO2S2
Molecular Weight389.13 g/mol
Exact Mass386.86
IUPAC Name1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Br)s1)N1CCCCC1
InChIInChI=1S/C9H11Br2NO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyPPQFWXJOSMDUJW-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine (CID 2740329) is 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1cc(Br)c(Br)s1)N1CCCCC1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is PPQFWXJOSMDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine?
1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 389.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 2740329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).