1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one

C16H20N2O5S — CID 163311194

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCCC12CCCN2S(=O)(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O5S/c19-15-16(6-2-8-17-15)7-3-9-18(16)24(20,21)13-5-1-4-12-14(13)23-11-10-22-12/h1,4-5H,2-3,6-11H2,(H,17,19)
InChIKeyDEBPLIRYCWEDLZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.89
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163311194) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163311194
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1NCCCC12CCCN2S(=O)(=O)c1cccc2c1OCCO2
InChIInChI=1S/C16H20N2O5S/c19-15-16(6-2-8-17-15)7-3-9-18(16)24(20,21)13-5-1-4-12-14(13)23-11-10-22-12/h1,4-5H,2-3,6-11H2,(H,17,19)
InChIKeyDEBPLIRYCWEDLZ-UHFFFAOYSA-N
XLogP0.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163311194) is 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1NCCCC12CCCN2S(=O)(=O)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is DEBPLIRYCWEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c19-15-16(6-2-8-17-15)7-3-9-18(16)24(20,21)13-5-1-4-12-14(13)23-11-10-22-12/h1,4-5H,2-3,6-11H2,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 352.41 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163311194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).