1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone

C14H25N3O5S — CID 110684444

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H25N3O5S/c1-23(19,20)17-8-6-15(7-9-17)12-13(18)16-4-2-14(3-5-16)21-10-11-22-14/h2-12H2,1H3
InChIKeyNJOHKMHTCRGPPX-UHFFFAOYSA-N
MW347.44 g/mol
LogP-1.07
Rot. Bonds3

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 110684444) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID110684444
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H25N3O5S/c1-23(19,20)17-8-6-15(7-9-17)12-13(18)16-4-2-14(3-5-16)21-10-11-22-14/h2-12H2,1H3
InChIKeyNJOHKMHTCRGPPX-UHFFFAOYSA-N
XLogP-1.07
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1-pyrrolidin-1-ylethanone
CID 131182071
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55573054
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
8-[2-(dimethylsulfamoylamino)acetyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112994198
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 78958483

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 110684444) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is NJOHKMHTCRGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-23(19,20)17-8-6-15(7-9-17)12-13(18)16-4-2-14(3-5-16)21-10-11-22-14/h2-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 347.44 g/mol, XLogP of -1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110684444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).