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

C16H18BrNO2S2 — CID 1318357

IUPAC4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18BrNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyZCUXHGFMXYMIKX-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.15
Rot. Bonds4

About 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine

4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 1318357) has the molecular formula C16H18BrNO2S2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID1318357
Molecular FormulaC16H18BrNO2S2
Molecular Weight400.36 g/mol
Exact Mass399.00
IUPAC Name4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18BrNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2
InChIKeyZCUXHGFMXYMIKX-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9551098
2-{[4-(2-Phenylethyl)piperazinyl]sulfonyl}thiophene
CID 2810368
4-Benzhydryl-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 2823162
1-Benzyl-4-((5-bromothiophen-2-yl)sulfonyl)piperazine
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4-Benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine (CID 1318357) is 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is ZCUXHGFMXYMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S2/c17-15-6-7-16(21-15)22(19,20)18-10-8-14(9-11-18)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2.
What are the key properties of 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 400.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(5-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 1318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).