5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one

C17H27N3O3S — CID 72937622

IUPAC5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
SMILESCCN1CC2(CCN(C(=O)C3CSC(C)(C)C(=O)N3)CC2)CC1=O
InChIInChI=1S/C17H27N3O3S/c1-4-19-11-17(9-13(19)21)5-7-20(8-6-17)14(22)12-10-24-16(2,3)15(23)18-12/h12H,4-11H2,1-3H3,(H,18,23)
InChIKeyQSIZFVIBPUTACW-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.86
Rot. Bonds2

About 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one

5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one (PubChem CID 72937622) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one.

Molecular Properties

Compound Name5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
PubChem CID72937622
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
SMILESCCN1CC2(CCN(C(=O)C3CSC(C)(C)C(=O)N3)CC2)CC1=O
InChIInChI=1S/C17H27N3O3S/c1-4-19-11-17(9-13(19)21)5-7-20(8-6-17)14(22)12-10-24-16(2,3)15(23)18-12/h12H,4-11H2,1-3H3,(H,18,23)
InChIKeyQSIZFVIBPUTACW-UHFFFAOYSA-N
XLogP0.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The IUPAC name of 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one (CID 72937622) is 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one.
What is the SMILES notation for 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The canonical SMILES for 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one is CCN1CC2(CCN(C(=O)C3CSC(C)(C)C(=O)N3)CC2)CC1=O.
What is the InChIKey of 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The InChIKey is QSIZFVIBPUTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-19-11-17(9-13(19)21)5-7-20(8-6-17)14(22)12-10-24-16(2,3)15(23)18-12/h12H,4-11H2,1-3H3,(H,18,23).
What are the key properties of 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one has a molecular weight of 353.49 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one is sourced from PubChem (CID 72937622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).