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

C12H17NS2 — CID 82388218

IUPAC3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine
SMILESc1c(C2CCCNC2)sc2c1CCCS2
InChIInChI=1S/C12H17NS2/c1-3-10(8-13-5-1)11-7-9-4-2-6-14-12(9)15-11/h7,10,13H,1-6,8H2
InChIKeyWAJGFIQMJVMSFW-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.25
Rot. Bonds1

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

3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine (PubChem CID 82388218) has the molecular formula C12H17NS2 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine
PubChem CID82388218
Molecular FormulaC12H17NS2
Molecular Weight239.41 g/mol
Exact Mass239.08
IUPAC Name3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine
SMILESc1c(C2CCCNC2)sc2c1CCCS2
InChIInChI=1S/C12H17NS2/c1-3-10(8-13-5-1)11-7-9-4-2-6-14-12(9)15-11/h7,10,13H,1-6,8H2
InChIKeyWAJGFIQMJVMSFW-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)piperidine?
The IUPAC name of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine (CID 82388218) is 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine.
What is the SMILES notation for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine?
The canonical SMILES for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine is c1c(C2CCCNC2)sc2c1CCCS2.
What is the InChIKey of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine?
The InChIKey is WAJGFIQMJVMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS2/c1-3-10(8-13-5-1)11-7-9-4-2-6-14-12(9)15-11/h7,10,13H,1-6,8H2.
What are the key properties of 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine?
3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine has a molecular weight of 239.41 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl)piperidine is sourced from PubChem (CID 82388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).