1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one

C12H21NO5S — CID 78958483

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C12H21NO5S/c1-11(2,19(3,15)16)10(14)13-6-4-12(5-7-13)17-8-9-18-12/h4-9H2,1-3H3
InChIKeyMOBRUCCHKDBTKN-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.18
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 78958483) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID78958483
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C12H21NO5S/c1-11(2,19(3,15)16)10(14)13-6-4-12(5-7-13)17-8-9-18-12/h4-9H2,1-3H3
InChIKeyMOBRUCCHKDBTKN-UHFFFAOYSA-N
XLogP0.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one with MolForge

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
2-cyclopropyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-hydroxypropan-1-one
CID 155929530
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
tert-butyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylate
CID 11824008
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684444
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)-2-methyl-2,3-diphenylpropan-1-one
CID 110299392
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one (CID 78958483) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one is CC(C)(C(=O)N1CCC2(CC1)OCCO2)S(C)(=O)=O.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is MOBRUCCHKDBTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-11(2,19(3,15)16)10(14)13-6-4-12(5-7-13)17-8-9-18-12/h4-9H2,1-3H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 291.37 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 78958483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).