N-(Cyclopropylsulfonyl)-(1R,2S)-2-vinyl-1-aminocyclopropane-1-carboxamide p-toluenesulfonate

C16H22N2O6S2CAS 1028252-16-5402.48 g/mol

Open in Covalent MOL file
NH2ONHSOOSOOOH
AlkenePrimary amineSulfonic acid

Properties

Molecular formula
C16H22N2O6S2
Molar mass
402.48 g/mol
Exact mass
402.0919 Da
logP
1.58Crippen estimate
Polar surface area
147.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1028252-16-5
SMILES
C=C[C@@H]1C[C@]1(N)C(O)=NS(=O)(=O)C1CC1.Cc1ccc(S(=O)(=O)O)cc1
InChIKey
WILXYULVXUTJDF-SOWVLMPRSA-N
InChI
InChI=1S/C9H14N2O3S.C7H8O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h2,6-7H,1,3-5,10H2,(H,11,12);2-5H,1H3,(H,8,9,10)/t6-,9-;/m1./s1

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Names and synonyms

1 names
  • Cyclopropanecarboxamide, 1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, (1R,2S)-, 4-methylbenzenesulfonate (1:1)

Work with N-(Cyclopropylsulfonyl)-(1R,2S)-2-vinyl-1-aminocyclopropane-1-carboxamide p-toluenesulfonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

Poly(4-styrenesulfonic acid)28210-41-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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