1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone

C15H20N2O5S — CID 110758890

IUPAC1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)OCCO3)CC1
InChIInChI=1S/C15H20N2O5S/c1-11-9-13-14(22-8-7-21-13)10-15(11)23(19,20)17-5-3-16(4-6-17)12(2)18/h9-10H,3-8H2,1-2H3
InChIKeyQSRDSOQVWLFNJJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.62
Rot. Bonds2

About 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone

1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone (PubChem CID 110758890) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone
PubChem CID110758890
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)OCCO3)CC1
InChIInChI=1S/C15H20N2O5S/c1-11-9-13-14(22-8-7-21-13)10-15(11)23(19,20)17-5-3-16(4-6-17)12(2)18/h9-10H,3-8H2,1-2H3
InChIKeyQSRDSOQVWLFNJJ-UHFFFAOYSA-N
XLogP0.62
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazine-1-carbaldehyde
CID 110758889
6-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-3H-1,3-benzoxazol-2-one
CID 100830319
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-4-methylpiperazine
CID 48944297
1-[7-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 22550777
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55863290
1-[4-[4-(1,1-dioxothiazinan-2-yl)-2,5-dimethylphenyl]sulfonylpiperazin-1-yl]ethanone
CID 39776055
7-(4-acetylpiperazin-1-yl)sulfonyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 110817097
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 110363952
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 9496625
1-[6-methyl-7-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 46287344
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110810001
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone (CID 110758890) is 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)OCCO3)CC1.
What is the InChIKey of 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone?
The InChIKey is QSRDSOQVWLFNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-11-9-13-14(22-8-7-21-13)10-15(11)23(19,20)17-5-3-16(4-6-17)12(2)18/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone?
1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110758890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).