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

C13H18N2OS2 — CID 71995332

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C13H18N2OS2/c1-14-4-6-15(7-5-14)13(16)12-10-2-8-17-11(10)3-9-18-12/h2,8,12H,3-7,9H2,1H3
InChIKeyQFQKLMNICQFGNM-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.85
Rot. Bonds1

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

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 71995332) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID71995332
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C13H18N2OS2/c1-14-4-6-15(7-5-14)13(16)12-10-2-8-17-11(10)3-9-18-12/h2,8,12H,3-7,9H2,1H3
InChIKeyQFQKLMNICQFGNM-UHFFFAOYSA-N
XLogP1.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
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-methylpiperazin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone (CID 71995332) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2SCCc3sccc32)CC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QFQKLMNICQFGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-14-4-6-15(7-5-14)13(16)12-10-2-8-17-11(10)3-9-18-12/h2,8,12H,3-7,9H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 282.43 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71995332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).