8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

C12H20N2O4S — CID 66886676

IUPAC8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)CC(=O)N(CCS(C)(=O)=O)C2=O
InChIInChI=1S/C12H20N2O4S/c1-13-5-3-12(4-6-13)9-10(15)14(11(12)16)7-8-19(2,17)18/h3-9H2,1-2H3
InChIKeyJPPRAJKKRRYGDC-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.50
Rot. Bonds3

About 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione

8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 66886676) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID66886676
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)CC(=O)N(CCS(C)(=O)=O)C2=O
InChIInChI=1S/C12H20N2O4S/c1-13-5-3-12(4-6-13)9-10(15)14(11(12)16)7-8-19(2,17)18/h3-9H2,1-2H3
InChIKeyJPPRAJKKRRYGDC-UHFFFAOYSA-N
XLogP-0.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 66886676) is 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is CN1CCC2(CC1)CC(=O)N(CCS(C)(=O)=O)C2=O.
What is the InChIKey of 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is JPPRAJKKRRYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-13-5-3-12(4-6-13)9-10(15)14(11(12)16)7-8-19(2,17)18/h3-9H2,1-2H3.
What are the key properties of 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 288.37 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylsulfonylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 66886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).