6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone

C13H17NO2S2 — CID 71995199

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CCC(O)CC1
InChIInChI=1S/C13H17NO2S2/c15-9-1-5-14(6-2-9)13(16)12-10-3-7-17-11(10)4-8-18-12/h3,7,9,12,15H,1-2,4-6,8H2
InChIKeyPJAUWNFPUCSUML-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.06
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71995199) has the molecular formula C13H17NO2S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71995199
Molecular FormulaC13H17NO2S2
Molecular Weight283.42 g/mol
Exact Mass283.07
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CCC(O)CC1
InChIInChI=1S/C13H17NO2S2/c15-9-1-5-14(6-2-9)13(16)12-10-3-7-17-11(10)4-8-18-12/h3,7,9,12,15H,1-2,4-6,8H2
InChIKeyPJAUWNFPUCSUML-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone (CID 71995199) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(C1SCCc2sccc21)N1CCC(O)CC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is PJAUWNFPUCSUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S2/c15-9-1-5-14(6-2-9)13(16)12-10-3-7-17-11(10)4-8-18-12/h3,7,9,12,15H,1-2,4-6,8H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 283.42 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71995199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).