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

C17H27N3O3S — CID 97286093

IUPAC(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
SMILESCCN1CC2(CCN(C(=O)[C@H]3CSC(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)/t12-/m1/s1
InChIKeyQSIZFVIBPUTACW-GFCCVEGCSA-N
MW353.49 g/mol
LogP0.86
Rot. Bonds2

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

(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one (PubChem CID 97286093) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one.

Molecular Properties

Compound Name(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
PubChem CID97286093
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
SMILESCCN1CC2(CCN(C(=O)[C@H]3CSC(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)/t12-/m1/s1
InChIKeyQSIZFVIBPUTACW-GFCCVEGCSA-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

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

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Related Compounds

8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899
8-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 95885398
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937
methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
CID 97189362
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123107
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276430
(4S)-4-(2-azaspiro[4.4]nonane-2-carbonyl)-1,3-thiazolidin-2-one
CID 99775088
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The IUPAC name of (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one (CID 97286093) is (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one.
What is the SMILES notation for (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The canonical SMILES for (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one is CCN1CC2(CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)CC1=O.
What is the InChIKey of (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
The InChIKey is QSIZFVIBPUTACW-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one?
(5S)-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 (5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one is sourced from PubChem (CID 97286093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).