8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C17H30N2O4S — CID 72843113

IUPAC8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCS(=O)(=O)C(C)C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C17H30N2O4S/c1-5-24(22,23)14(4)16(21)18-8-6-17(7-9-18)10-15(20)19(12-17)11-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyDDPPDXSZIVJIEM-UHFFFAOYSA-N
MW358.50 g/mol
LogP1.31
Rot. Bonds5

About 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72843113) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72843113
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC Name8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCS(=O)(=O)C(C)C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C17H30N2O4S/c1-5-24(22,23)14(4)16(21)18-8-6-17(7-9-18)10-15(20)19(12-17)11-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyDDPPDXSZIVJIEM-UHFFFAOYSA-N
XLogP1.31
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
1,3-dimethyl-6-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrimidine-2,4-dione
CID 72860462
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72936310
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236
methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
CID 97206845
8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72913109
2-ethyl-7-(2-methylpropanoyl)-10-propan-2-yl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 155876784
2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
4-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 72930130
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72843113) is 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CCS(=O)(=O)C(C)C(=O)N1CCC2(CC1)CC(=O)N(CC(C)C)C2.
What is the InChIKey of 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is DDPPDXSZIVJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-5-24(22,23)14(4)16(21)18-8-6-17(7-9-18)10-15(20)19(12-17)11-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 358.50 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylsulfonylpropanoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72843113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).