3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one

C12H15NOS2 — CID 82381745

IUPAC3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one
SMILESO=C1CCNCC1c1cc2c(s1)SCCC2
InChIInChI=1S/C12H15NOS2/c14-10-3-4-13-7-9(10)11-6-8-2-1-5-15-12(8)16-11/h6,9,13H,1-5,7H2
InChIKeyPWCIRZIYXWESSR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.43
Rot. Bonds1

About 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one

3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one (PubChem CID 82381745) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one
PubChem CID82381745
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one
SMILESO=C1CCNCC1c1cc2c(s1)SCCC2
InChIInChI=1S/C12H15NOS2/c14-10-3-4-13-7-9(10)11-6-8-2-1-5-15-12(8)16-11/h6,9,13H,1-5,7H2
InChIKeyPWCIRZIYXWESSR-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one?
The IUPAC name of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one (CID 82381745) is 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one.
What is the SMILES notation for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one?
The canonical SMILES for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one is O=C1CCNCC1c1cc2c(s1)SCCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one?
The InChIKey is PWCIRZIYXWESSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c14-10-3-4-13-7-9(10)11-6-8-2-1-5-15-12(8)16-11/h6,9,13H,1-5,7H2.
What are the key properties of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one?
3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidin-4-one is sourced from PubChem (CID 82381745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).