1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone

C14H18N2O2S2 — CID 71995328

IUPAC1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)15-4-6-16(7-5-15)14(18)13-11-2-8-19-12(11)3-9-20-13/h2,8,13H,3-7,9H2,1H3
InChIKeyGTDMBLQDFUQVGF-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.77
Rot. Bonds1

About 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone

1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71995328) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID71995328
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2SCCc3sccc32)CC1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)15-4-6-16(7-5-15)14(18)13-11-2-8-19-12(11)3-9-20-13/h2,8,13H,3-7,9H2,1H3
InChIKeyGTDMBLQDFUQVGF-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone (CID 71995328) is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2SCCc3sccc32)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GTDMBLQDFUQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(17)15-4-6-16(7-5-15)14(18)13-11-2-8-19-12(11)3-9-20-13/h2,8,13H,3-7,9H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71995328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).