Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate

C₉H₁₁NO₆S₂CAS 106820-63-7293.31 g/mol

Open in Covalent MOL file

Ester Sulfonamide

Properties

Molecular formula: C₉H₁₁NO₆S₂
Molar mass: 293.31 g/mol
Exact mass: 293.0028 Da
logP: -0.01Crippen estimate
Polar surface area: 98.8 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

106820-63-7

SMILES

COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC

InChIKey

KUTKKTKUSGIBPZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

2-Thiophenecarboxylic acid, 3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-, methyl ester
2-Thiophenecarboxylic acid, 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-, methyl ester
Methyl 3-(methoxycarbonylmethylsulfamoyl)-thiophene-2-carboxylate

Work with Methyl 3-[[(2-methoxy-2-oxoethyl)amino]sulfonyl]-2-thiophenecarboxylate

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

Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-755 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-855 % similar Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-551 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-249 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-446 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-145 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-645 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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