1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone

C11H20N2O3S — CID 131662776

IUPAC1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
SMILESCC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O3S/c1-10(14)12-7-3-5-11(9-12)6-4-8-13(11)17(2,15)16/h3-9H2,1-2H3
InChIKeyDTZNCPPJMLAXIP-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.42
Rot. Bonds1

About 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone

1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone (PubChem CID 131662776) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
PubChem CID131662776
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
SMILESCC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O3S/c1-10(14)12-7-3-5-11(9-12)6-4-8-13(11)17(2,15)16/h3-9H2,1-2H3
InChIKeyDTZNCPPJMLAXIP-UHFFFAOYSA-N
XLogP0.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131641583
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-pyridazin-4-ylmethanone
CID 118739245
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(thiadiazol-4-yl)methanone
CID 97482260
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
furan-2-yl-(6-methylsulfonyl-2,6-diazaspiro[4.5]decan-2-yl)methanone
CID 134074747
(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 139379643

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone (CID 131662776) is 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone is CC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1.
What is the InChIKey of 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is DTZNCPPJMLAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10(14)12-7-3-5-11(9-12)6-4-8-13(11)17(2,15)16/h3-9H2,1-2H3.
What are the key properties of 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 131662776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).