1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride

• ChemBase ID: 244058
• Molecular Formular: C7H12ClNO4S
• Molecular Mass: 241.69248
• Monoisotopic Mass: 241.01755655
• SMILES: S(=O)(=O)(N1CCC2(CC1)OCCO2)Cl
• Canonical SMILES: ClS(=O)(=O)N1CCC2(CC1)OCCO2
• InChI: InChI=1S/C7H12ClNO4S/c8-14(10,11)9-3-1-7(2-4-9)12-5-6-13-7/h1-6H2
• InChIKey: BGZUFEVTVCKYMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride
• IUPAC Traditional name: 1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride
• Synonyms: 1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl chloride

Database IDs

• MDL Number: MFCD19201257
• PubChem SID: 164299968
• PubChem CID: 55279938

CALCULATED PROPERTIES

• Log P: 0.46011084
• Molar Refractivity: 50.5691 cm^3
• Polarizability: 21.008797 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.46011084
• LogD (pH = 7.4): 0.46011084

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.501

Product Information

• Purity: 95%