8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C11H20N2O3S — CID 97370123

IUPAC8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCS(=O)(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-17(15,16)13-8-5-11(6-9-13)4-7-12(2)10(11)14/h3-9H2,1-2H3
InChIKeyRYQNYQUCLZVYNK-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.28
Rot. Bonds2

About 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370123) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370123
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCS(=O)(=O)N1CCC2(CCN(C)C2=O)CC1
InChIInChI=1S/C11H20N2O3S/c1-3-17(15,16)13-8-5-11(6-9-13)4-7-12(2)10(11)14/h3-9H2,1-2H3
InChIKeyRYQNYQUCLZVYNK-UHFFFAOYSA-N
XLogP0.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-azaspiro[4.5]decane-1,8-dione
CID 90036749
2-ethyl-6-methyl-2,6-diazaspiro[3.4]octan-5-one
CID 145349631
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
9-ethylsulfonyl-1-methyl-1,9-diazaspiro[5.5]undecan-2-one
CID 97450540
(5R)-9-ethylsulfonyl-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360415
6-methyl-6-azaspiro[3.6]decan-5-one
CID 12509314
1-ethylsulfonyl-4-methylpiperidin-4-amine
CID 71167424
2-methyl-7-methylsulfanyl-2,7-diazaspiro[4.4]nonan-1-one
CID 171516524
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 120849524
2-methyl-8-(2-piperidin-4-ylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166113679

Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 97370123) is 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CCS(=O)(=O)N1CCC2(CCN(C)C2=O)CC1.
What is the InChIKey of 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RYQNYQUCLZVYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-17(15,16)13-8-5-11(6-9-13)4-7-12(2)10(11)14/h3-9H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 260.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).