2-methyl-5-(morpholine-4-sulfonyl)thiophen-3-amine

• ChemBase ID: 274068
• Molecular Formular: C9H14N2O3S2
• Molecular Mass: 262.34906
• Monoisotopic Mass: 262.04458432
• SMILES: S(=O)(=O)(c1cc(c(s1)C)N)N1CCOCC1
• Canonical SMILES: Nc1cc(sc1C)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H14N2O3S2/c1-7-8(10)6-9(15-7)16(12,13)11-2-4-14-5-3-11/h6H,2-5,10H2,1H3
• InChIKey: ANMQIEGEJXJVJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(morpholine-4-sulfonyl)thiophen-3-amine
• IUPAC Traditional name: 2-methyl-5-(morpholine-4-sulfonyl)thiophen-3-amine
• Synonyms: 2-methyl-5-(morpholine-4-sulfonyl)thiophen-3-amine

Database IDs

• MDL Number: MFCD18838723
• PubChem SID: 164329978
• PubChem CID: 54593019

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.571501
• LogD (pH = 7.4): 0.571501
• Log P: 0.571501
• Molar Refractivity: 63.1062 cm^3
• Polarizability: 24.628922 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.743

Product Information

• Purity: 95%