1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone

C13H24N2O3S — CID 168923326

IUPAC1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCCS(=O)(=O)N1CCC2(CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-3-19(17,18)15-10-6-13(7-11-15)4-8-14(9-5-13)12(2)16/h3-11H2,1-2H3
InChIKeyLJZIGSVWZKJLQH-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds2

About 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone

1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 168923326) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID168923326
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCCS(=O)(=O)N1CCC2(CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-3-19(17,18)15-10-6-13(7-11-15)4-8-14(9-5-13)12(2)16/h3-11H2,1-2H3
InChIKeyLJZIGSVWZKJLQH-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
1-ethylsulfonyl-4-methylpiperidin-4-amine
CID 71167424
2-(3-propylsulfonyl-3-azaspiro[5.5]undecan-9-yl)acetic acid
CID 166273848
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-[7-[2-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)sulfonyl]ethyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 155062113
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 123601967
7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
CID 164656017

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 168923326) is 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone is CCS(=O)(=O)N1CCC2(CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is LJZIGSVWZKJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-19(17,18)15-10-6-13(7-11-15)4-8-14(9-5-13)12(2)16/h3-11H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 288.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 168923326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).