4-methyl-1-thia-4,7-diazaspiro[4.5]decan-3-one

• ChemBase ID: 248386
• Molecular Formular: C8H14N2OS
• Molecular Mass: 186.27456
• Monoisotopic Mass: 186.08268408
• SMILES: N1(C2(SCC1=O)CNCCC2)C
• Canonical SMILES: O=C1CSC2(N1C)CCCNC2
• InChI: InChI=1S/C8H14N2OS/c1-10-7(11)5-12-8(10)3-2-4-9-6-8/h9H,2-6H2,1H3
• InChIKey: QVHYJXOFCNWXQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-thia-4,7-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 4-methyl-1-thia-4,7-diazaspiro[4.5]decan-3-one
• Synonyms: 4-methyl-1-thia-4,7-diazaspiro[4.5]decan-3-one

Database IDs

• PubChem SID: 164304296
• PubChem CID: 71758467

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1622665
• LogD (pH = 7.4): -1.7716385
• Log P: -0.079342775
• Molar Refractivity: 50.1391 cm^3
• Polarizability: 19.822065 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.098

Product Information

• Purity: null%