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

C11H13NO2S2 — CID 71920008

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CC(O)C1
InChIInChI=1S/C11H13NO2S2/c13-7-5-12(6-7)11(14)10-8-1-3-15-9(8)2-4-16-10/h1,3,7,10,13H,2,4-6H2
InChIKeySFQHOLLYVSGEHY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.28
Rot. Bonds1

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

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 71920008) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID71920008
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1SCCc2sccc21)N1CC(O)C1
InChIInChI=1S/C11H13NO2S2/c13-7-5-12(6-7)11(14)10-8-1-3-15-9(8)2-4-16-10/h1,3,7,10,13H,2,4-6H2
InChIKeySFQHOLLYVSGEHY-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.28
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-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone (CID 71920008) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone is O=C(C1SCCc2sccc21)N1CC(O)C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is SFQHOLLYVSGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c13-7-5-12(6-7)11(14)10-8-1-3-15-9(8)2-4-16-10/h1,3,7,10,13H,2,4-6H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 1.28, 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-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 71920008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).