2-benzhydrylsulfinyl-1-piperidin-1-ylethanone

C20H23NO2S — CID 5156544

IUPAC2-benzhydrylsulfinyl-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H23NO2S/c22-19(21-14-8-3-9-15-21)16-24(23)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,20H,3,8-9,14-16H2
InChIKeyWPRKIUSSRLTAAZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.54
Rot. Bonds5

About 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone

2-benzhydrylsulfinyl-1-piperidin-1-ylethanone (PubChem CID 5156544) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-1-piperidin-1-ylethanone
PubChem CID5156544
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-benzhydrylsulfinyl-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H23NO2S/c22-19(21-14-8-3-9-15-21)16-24(23)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,20H,3,8-9,14-16H2
InChIKeyWPRKIUSSRLTAAZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone (CID 5156544) is 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone is O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone?
The InChIKey is WPRKIUSSRLTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-19(21-14-8-3-9-15-21)16-24(23)20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,20H,3,8-9,14-16H2.
What are the key properties of 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone?
2-benzhydrylsulfinyl-1-piperidin-1-ylethanone has a molecular weight of 341.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 5156544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).