2-(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)acetic acid

C₆H₁₁NO₄SCAS 155480-08-3193.22 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfone Tertiary amine

Properties

Molecular formula: C₆H₁₁NO₄S
Molar mass: 193.22 g/mol
Exact mass: 193.0409 Da
logP: -1.20Crippen estimate
Polar surface area: 74.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

155480-08-3

SMILES

C1CS(=O)(=O)CCN1CC(=O)O

InChIKey

CEABBIBOUBCOPV-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)

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Names and synonyms

1 names

(1,1-Dioxothiomorpholino)acetic acid monohydrate

Work with 2-(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dota (chelator)60239-18-164 % similar Pentetic acid67-43-662 % similar Triethylenetetraminehexaacetic acid869-52-362 % similar Ethylenediaminetetraacetic acid60-00-458 % similar Piperidin-1-yl-acetic acid3235-67-457 % similar Nitrilotriacetic acid139-13-956 % similar Bicine150-25-455 % similar PDTA1939-36-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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