1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

C17H20N2O4S — CID 124884002

IUPAC1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCC[C@@H](N2CCCS2(=O)=O)C1
InChIInChI=1S/C17H20N2O4S/c20-17(15-12-23-16-7-2-1-6-14(15)16)18-8-3-5-13(11-18)19-9-4-10-24(19,21)22/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1
InChIKeyUCLHHYIFYSDACM-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.07
Rot. Bonds2

About 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone

1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (PubChem CID 124884002) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
PubChem CID124884002
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCC[C@@H](N2CCCS2(=O)=O)C1
InChIInChI=1S/C17H20N2O4S/c20-17(15-12-23-16-7-2-1-6-14(15)16)18-8-3-5-13(11-18)19-9-4-10-24(19,21)22/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1
InChIKeyUCLHHYIFYSDACM-CYBMUJFWSA-N
XLogP2.07
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-(3-propan-2-ylfuran-2-yl)methanone
CID 126800076
1-benzofuran-3-yl-(3-bromopyrrolidin-1-yl)methanone
CID 80677908
3,4-dihydro-2H-pyran-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
CID 122139579
1-benzofuran-3-yl-(2,2-dioxo-2λ6-thia-9-azaspiro[4.5]decan-9-yl)methanone
CID 128647120
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 119039974
1-[(3S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 100732905
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 90673468
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066
1,5-diazabicyclo[3.2.2]nonan-6-yl-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone
CID 136538211
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
CID 119597356

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone (CID 124884002) is 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is O=C(c1coc2ccccc12)N1CCC[C@@H](N2CCCS2(=O)=O)C1.
What is the InChIKey of 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is UCLHHYIFYSDACM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17(15-12-23-16-7-2-1-6-14(15)16)18-8-3-5-13(11-18)19-9-4-10-24(19,21)22/h1-2,6-7,12-13H,3-5,8-11H2/t13-/m1/s1.
What are the key properties of 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone?
1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 348.42 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[(3R)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124884002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).