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2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid
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ChemBase ID:
125244
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Molecular Formular:
C7H13NO4S
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Molecular Mass:
207.24742
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Monoisotopic Mass:
207.0565289
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SMILES and InChIs
SMILES:
O=C(NC(CS(=O)(=O)O)(C)C)C=C
Canonical SMILES:
C=CC(=O)NC(CS(=O)(=O)O)(C)C
InChI:
InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
InChIKey:
XHZPRMZZQOIPDS-UHFFFAOYSA-N
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Cite this record
CBID:125244 http://www.chembase.cn/molecule-125244.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid
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IUPAC Traditional name
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2-methyl-2-(prop-2-enamido)propane-1-sulfonic acid
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Synonyms
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2-Acrylamido-2-methylpropane sulfonic acid
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2-Acrylamido-2-methylpropanesulfonic acid
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2-Acrylamido-2-methyl-1-propane sulfonic acid
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2-Acrylamido-2-methylpropane sulfonic acid
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2-Acryloylamido-2-methylpropanesulfonic acid monomer
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2-Acrylamido-2-methyl-1-propanesulfonic acid
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AMPS
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2-Acrylamido-2-methylpropanesulfonic acid
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2-丙烯酰胺-2-甲基丙磺酸单体
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2-丙烯酰胺基-2-甲基丙磺酸
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2-丙烯酰胺-2-甲基丙烷磺酸
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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Chemspider ID
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-0.9597047
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.7092283
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LogD (pH = 7.4)
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-2.709275
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Log P
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-1.3867117
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Molar Refractivity
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47.7536 cm3
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Polarizability
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19.336859 Å3
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Polar Surface Area
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83.47 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Wikipedia
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent