1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone

C12H17NO2S2 — CID 43393862

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccs1)N1CCCC(O)C1
InChIInChI=1S/C12H17NO2S2/c14-10-3-1-5-13(7-10)12(15)9-16-8-11-4-2-6-17-11/h2,4,6,10,14H,1,3,5,7-9H2
InChIKeyGIGYHYWOYUPRCY-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.96
Rot. Bonds4

About 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone

1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone (PubChem CID 43393862) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone
PubChem CID43393862
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1cccs1)N1CCCC(O)C1
InChIInChI=1S/C12H17NO2S2/c14-10-3-1-5-13(7-10)12(15)9-16-8-11-4-2-6-17-11/h2,4,6,10,14H,1,3,5,7-9H2
InChIKeyGIGYHYWOYUPRCY-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone (CID 43393862) is 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone is O=C(CSCc1cccs1)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone?
The InChIKey is GIGYHYWOYUPRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-10-3-1-5-13(7-10)12(15)9-16-8-11-4-2-6-17-11/h2,4,6,10,14H,1,3,5,7-9H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone?
1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone has a molecular weight of 271.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(thiophen-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 43393862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).