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

C13H17NOS2 — CID 71926384

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CCCCC1
InChIInChI=1S/C13H17NOS2/c15-13(14-6-2-1-3-7-14)12-10-4-8-16-11(10)5-9-17-12/h4,8,12H,1-3,5-7,9H2
InChIKeyRWFAZBZSZDEKEW-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.09
Rot. Bonds1

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

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone (PubChem CID 71926384) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone
PubChem CID71926384
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CCCCC1
InChIInChI=1S/C13H17NOS2/c15-13(14-6-2-1-3-7-14)12-10-4-8-16-11(10)5-9-17-12/h4,8,12H,1-3,5-7,9H2
InChIKeyRWFAZBZSZDEKEW-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone (CID 71926384) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone is O=C(C1SCCc2sccc21)N1CCCCC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone?
The InChIKey is RWFAZBZSZDEKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c15-13(14-6-2-1-3-7-14)12-10-4-8-16-11(10)5-9-17-12/h4,8,12H,1-3,5-7,9H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone has a molecular weight of 267.42 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 71926384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).