1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine

C17H19NO3S2 — CID 171137315

IUPAC1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
SMILESO=S(=O)(C=Cc1ccccc1)N1CCC(Oc2ccsc2)CC1
InChIInChI=1S/C17H19NO3S2/c19-23(20,13-9-15-4-2-1-3-5-15)18-10-6-16(7-11-18)21-17-8-12-22-14-17/h1-5,8-9,12-14,16H,6-7,10-11H2
InChIKeyZFQOFUOEIRGIAU-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine

1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine (PubChem CID 171137315) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine.

Molecular Properties

Compound Name1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
PubChem CID171137315
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
SMILESO=S(=O)(C=Cc1ccccc1)N1CCC(Oc2ccsc2)CC1
InChIInChI=1S/C17H19NO3S2/c19-23(20,13-9-15-4-2-1-3-5-15)18-10-6-16(7-11-18)21-17-8-12-22-14-17/h1-5,8-9,12-14,16H,6-7,10-11H2
InChIKeyZFQOFUOEIRGIAU-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-3-yloxy-1-thiophen-2-ylsulfonylpiperidine
CID 122246250
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 91815893
2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
CID 129447780
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90617045
(3aR,7aS)-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911254
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
4-[(E)-2-phenylethenyl]sulfonyl-7-thiophen-2-yl-1,4-thiazepane 1,1-dioxide
CID 121191690
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
4-[1-(2-phenylethenylsulfonyl)piperidin-4-yl]benzamide
CID 91409956
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine?
The IUPAC name of 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine (CID 171137315) is 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine.
What is the SMILES notation for 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine?
The canonical SMILES for 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine is O=S(=O)(C=Cc1ccccc1)N1CCC(Oc2ccsc2)CC1.
What is the InChIKey of 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine?
The InChIKey is ZFQOFUOEIRGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c19-23(20,13-9-15-4-2-1-3-5-15)18-10-6-16(7-11-18)21-17-8-12-22-14-17/h1-5,8-9,12-14,16H,6-7,10-11H2.
What are the key properties of 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine?
1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine has a molecular weight of 349.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine is sourced from PubChem (CID 171137315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).