[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone

C16H19NO2S — CID 70967178

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone
SMILESO=C(C1C=C(c2ccccc2)SC1)N1CCC[C@H](O)C1
InChIInChI=1S/C16H19NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,13-14,18H,4,7-8,10-11H2/t13?,14-/m0/s1
InChIKeyFYDHIYYVNDPXHI-KZUDCZAMSA-N
MW289.40 g/mol
LogP2.37
Rot. Bonds2

About [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone (PubChem CID 70967178) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone
PubChem CID70967178
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone
SMILESO=C(C1C=C(c2ccccc2)SC1)N1CCC[C@H](O)C1
InChIInChI=1S/C16H19NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,13-14,18H,4,7-8,10-11H2/t13?,14-/m0/s1
InChIKeyFYDHIYYVNDPXHI-KZUDCZAMSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone (CID 70967178) is [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone is O=C(C1C=C(c2ccccc2)SC1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone?
The InChIKey is FYDHIYYVNDPXHI-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-14-7-4-8-17(10-14)16(19)13-9-15(20-11-13)12-5-2-1-3-6-12/h1-3,5-6,9,13-14,18H,4,7-8,10-11H2/t13?,14-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(5-phenyl-2,3-dihydrothiophen-3-yl)methanone is sourced from PubChem (CID 70967178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).