2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione

C15H25NO3S — CID 106246315

IUPAC2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCSCC(C)(O)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H25NO3S/c1-14(19,11-20-2)10-16-12(17)9-15(13(16)18)7-5-3-4-6-8-15/h19H,3-11H2,1-2H3
InChIKeyIYSSYWZMCRWRFQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 106246315) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID106246315
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCSCC(C)(O)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C15H25NO3S/c1-14(19,11-20-2)10-16-12(17)9-15(13(16)18)7-5-3-4-6-8-15/h19H,3-11H2,1-2H3
InChIKeyIYSSYWZMCRWRFQ-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 106246315) is 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione is CSCC(C)(O)CN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is IYSSYWZMCRWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(19,11-20-2)10-16-12(17)9-15(13(16)18)7-5-3-4-6-8-15/h19H,3-11H2,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 299.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 106246315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).