2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone

C18H24N2O5S — CID 91819170

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2c1OCCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H24N2O5S/c21-18(15-2-1-3-16-17(15)25-11-10-24-16)20-8-6-19(7-9-20)14-4-12-26(22,23)13-5-14/h1-3,14H,4-13H2
InChIKeyJXUQKAAGEWQVGK-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.79
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone (PubChem CID 91819170) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
PubChem CID91819170
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc2c1OCCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H24N2O5S/c21-18(15-2-1-3-16-17(15)25-11-10-24-16)20-8-6-19(7-9-20)14-4-12-26(22,23)13-5-14/h1-3,14H,4-13H2
InChIKeyJXUQKAAGEWQVGK-UHFFFAOYSA-N
XLogP0.79
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808800
(2,3-dichlorophenyl)-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone
CID 91819175
2,3-dihydro-1,4-benzodioxin-5-yl-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997730
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91788683
(3-chloropiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 55188169
(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 134033948
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 167971537
2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999606
1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-1,4-diazepan-5-one
CID 62046592
6-(4-methylpiperazine-1-carbonyl)-3,4-dihydro-2H-1,5-benzodioxepine-2-carboxamide
CID 173209490

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone (CID 91819170) is 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone is O=C(c1cccc2c1OCCO2)N1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone?
The InChIKey is JXUQKAAGEWQVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c21-18(15-2-1-3-16-17(15)25-11-10-24-16)20-8-6-19(7-9-20)14-4-12-26(22,23)13-5-14/h1-3,14H,4-13H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone?
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1,1-dioxothian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91819170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).