1-(5-bromothiophen-2-yl)sulfonylpiperidine

C9H12BrNO2S2 — CID 558610

IUPAC1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C9H12BrNO2S2/c10-8-4-5-9(14-8)15(12,13)11-6-2-1-3-7-11/h4-5H,1-3,6-7H2
InChIKeyJOPVDBGGIVPTLH-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylpiperidine

1-(5-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 558610) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID558610
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C9H12BrNO2S2/c10-8-4-5-9(14-8)15(12,13)11-6-2-1-3-7-11/h4-5H,1-3,6-7H2
InChIKeyJOPVDBGGIVPTLH-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine (CID 558610) is 1-(5-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1ccc(Br)s1)N1CCCCC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is JOPVDBGGIVPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c10-8-4-5-9(14-8)15(12,13)11-6-2-1-3-7-11/h4-5H,1-3,6-7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpiperidine?
1-(5-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 310.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 558610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).