6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C11H18N2O4S — CID 64880891

IUPAC6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCS(=O)(=O)CCN1C(=O)CNC(=O)C12CCCC2
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)7-6-13-9(14)8-12-10(15)11(13)4-2-3-5-11/h2-8H2,1H3,(H,12,15)
InChIKeyQFACTZPVRGPPGT-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.70
Rot. Bonds3

About 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64880891) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64880891
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCS(=O)(=O)CCN1C(=O)CNC(=O)C12CCCC2
InChIInChI=1S/C11H18N2O4S/c1-18(16,17)7-6-13-9(14)8-12-10(15)11(13)4-2-3-5-11/h2-8H2,1H3,(H,12,15)
InChIKeyQFACTZPVRGPPGT-UHFFFAOYSA-N
XLogP-0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64880891) is 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CS(=O)(=O)CCN1C(=O)CNC(=O)C12CCCC2.
What is the InChIKey of 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is QFACTZPVRGPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-18(16,17)7-6-13-9(14)8-12-10(15)11(13)4-2-3-5-11/h2-8H2,1H3,(H,12,15).
What are the key properties of 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 274.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64880891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).