4-benzyl-1-thiophen-2-ylsulfonylpiperidine

C16H19NO2S2 — CID 674994

IUPAC4-benzyl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19NO2S2/c18-21(19,16-7-4-12-20-16)17-10-8-15(9-11-17)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeySDTLUOGSXMGXMS-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.39
Rot. Bonds4

About 4-benzyl-1-thiophen-2-ylsulfonylpiperidine

4-benzyl-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 674994) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-benzyl-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-thiophen-2-ylsulfonylpiperidine
PubChem CID674994
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name4-benzyl-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H19NO2S2/c18-21(19,16-7-4-12-20-16)17-10-8-15(9-11-17)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2
InChIKeySDTLUOGSXMGXMS-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-benzyl-1-thiophen-2-ylsulfonylpiperidine (CID 674994) is 4-benzyl-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is SDTLUOGSXMGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c18-21(19,16-7-4-12-20-16)17-10-8-15(9-11-17)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2.
What are the key properties of 4-benzyl-1-thiophen-2-ylsulfonylpiperidine?
4-benzyl-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 321.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 674994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).