3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide

C15H19NO2S2 — CID 751563

IUPAC3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(SCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO2S2/c17-20(18)12-14(13-6-2-3-7-15(13)20)19-11-10-16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyDZBZFDIURHPMCQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.99
Rot. Bonds4

About 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide

3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide (PubChem CID 751563) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide
PubChem CID751563
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(SCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO2S2/c17-20(18)12-14(13-6-2-3-7-15(13)20)19-11-10-16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyDZBZFDIURHPMCQ-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide (CID 751563) is 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(SCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is DZBZFDIURHPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c17-20(18)12-14(13-6-2-3-7-15(13)20)19-11-10-16-8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide?
3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 309.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylsulfanyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 751563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).