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

C12H22N2O4S — CID 131641583

IUPAC2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
SMILESCOCC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O4S/c1-18-9-11(15)13-7-3-5-12(10-13)6-4-8-14(12)19(2,16)17/h3-10H2,1-2H3
InChIKeyDVISJNACTFVMLD-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.05
Rot. Bonds3

About 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone

2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone (PubChem CID 131641583) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
PubChem CID131641583
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
SMILESCOCC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O4S/c1-18-9-11(15)13-7-3-5-12(10-13)6-4-8-14(12)19(2,16)17/h3-10H2,1-2H3
InChIKeyDVISJNACTFVMLD-UHFFFAOYSA-N
XLogP0.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131663239
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
(4-chlorophenyl)-[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393507
[(5S)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]-(4-propylphenyl)methanone
CID 97393532
(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
(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
N-[[(5R,7S)-2-(2-methoxyacetyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475247
1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
CID 60712313

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone (CID 131641583) is 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone is COCC(=O)N1CCCC2(CCCN2S(C)(=O)=O)C1.
What is the InChIKey of 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is DVISJNACTFVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-18-9-11(15)13-7-3-5-12(10-13)6-4-8-14(12)19(2,16)17/h3-10H2,1-2H3.
What are the key properties of 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone?
2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 290.38 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 131641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).