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

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

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Related Compounds

1-(Methylsulfonyl)-4-(2-thienylacetyl)piperazine
CID 1246104
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 762661
(E)-1-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-en-1-one
CID 2349712
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856935
1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
CID 71924818
[4-(2,2-difluoroethyl)piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 71926352
1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 71926364
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl(piperidin-1-yl)methanone
CID 71926384
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
CID 71995199
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperidine-4-carboxamide
CID 71995320

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).