2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone

C17H19N3O6S — CID 3309751

IUPAC2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1nnc(C2COc3ccccc3O2)o1)N1CCCCC1
InChIInChI=1S/C17H19N3O6S/c21-15(20-8-4-1-5-9-20)11-27(22,23)17-19-18-16(26-17)14-10-24-12-6-2-3-7-13(12)25-14/h2-3,6-7,14H,1,4-5,8-11H2
InChIKeyHEYLMQZVYMQWDH-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.37
Rot. Bonds4

About 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone (PubChem CID 3309751) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
PubChem CID3309751
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1nnc(C2COc3ccccc3O2)o1)N1CCCCC1
InChIInChI=1S/C17H19N3O6S/c21-15(20-8-4-1-5-9-20)11-27(22,23)17-19-18-16(26-17)14-10-24-12-6-2-3-7-13(12)25-14/h2-3,6-7,14H,1,4-5,8-11H2
InChIKeyHEYLMQZVYMQWDH-UHFFFAOYSA-N
XLogP1.37
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155880
2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155879
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 974800
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 5207611
2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 27953190
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
2-(chloromethyl)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 5190640
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone
CID 4135331
1-[4-[2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 41293009
N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4188139

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone (CID 3309751) is 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone is O=C(CS(=O)(=O)c1nnc(C2COc3ccccc3O2)o1)N1CCCCC1.
What is the InChIKey of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone?
The InChIKey is HEYLMQZVYMQWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c21-15(20-8-4-1-5-9-20)11-27(22,23)17-19-18-16(26-17)14-10-24-12-6-2-3-7-13(12)25-14/h2-3,6-7,14H,1,4-5,8-11H2.
What are the key properties of 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone?
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone has a molecular weight of 393.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfonyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 3309751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).