(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C14H22N2O2S — CID 99798247

IUPAC(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C14H22N2O2S/c17-12-10-14(4-9-19-11-14)13(18)16(12)8-7-15-5-2-1-3-6-15/h1-11H2/t14-/m1/s1
InChIKeyAGDHVOXCHWJFSU-CQSZACIVSA-N
MW282.41 g/mol
LogP1.35
Rot. Bonds3

About (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 99798247) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID99798247
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1CCN1CCCCC1
InChIInChI=1S/C14H22N2O2S/c17-12-10-14(4-9-19-11-14)13(18)16(12)8-7-15-5-2-1-3-6-15/h1-11H2/t14-/m1/s1
InChIKeyAGDHVOXCHWJFSU-CQSZACIVSA-N
XLogP1.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione with MolForge

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Related Compounds

2-(piperidin-1-ylmethyl)-9-thia-2-azaspiro[4.5]decane-1,3-dione
CID 16640204
2-(cyclohexylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 84599563
(5R)-2-[(4-methylphenyl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 129348676
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 75392462
(5S)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 96529375
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 97056213
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
2-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 71924992
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 86869008
(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94799111
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanamide
CID 46613463

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 99798247) is (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1C[C@@]2(CCSC2)C(=O)N1CCN1CCCCC1.
What is the InChIKey of (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AGDHVOXCHWJFSU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-12-10-14(4-9-19-11-14)13(18)16(12)8-7-15-5-2-1-3-6-15/h1-11H2/t14-/m1/s1.
What are the key properties of (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 282.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-piperidin-1-ylethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 99798247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).