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

C14H20N2O2S2 — CID 71856935

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1SCCc2sccc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H20N2O2S2/c17-8-7-15-3-5-16(6-4-15)14(18)13-11-1-9-19-12(11)2-10-20-13/h1,9,13,17H,2-8,10H2
InChIKeyIIWGSJFKABEJGL-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.22
Rot. Bonds3

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

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71856935) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71856935
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1SCCc2sccc21)N1CCN(CCO)CC1
InChIInChI=1S/C14H20N2O2S2/c17-8-7-15-3-5-16(6-4-15)14(18)13-11-1-9-19-12(11)2-10-20-13/h1,9,13,17H,2-8,10H2
InChIKeyIIWGSJFKABEJGL-UHFFFAOYSA-N
XLogP1.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2349442
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(3-hydroxyazetidin-1-yl)methanone
CID 71920008
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
1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone
CID 71995328
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-methylpiperazin-1-yl)methanone
CID 71995332
1-[4-(2-Phenylethyl)piperazin-1-yl]-2-(thiophen-2-yl)ethanone
CID 2970684
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[2-hydroxyethyl(propyl)amino]propan-1-one
CID 52415197

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 71856935) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(C1SCCc2sccc21)N1CCN(CCO)CC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is IIWGSJFKABEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-8-7-15-3-5-16(6-4-15)14(18)13-11-1-9-19-12(11)2-10-20-13/h1,9,13,17H,2-8,10H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 312.46 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71856935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).