chempirical

Buthionine sulfoximine

C8H18N2O3SCAS 5072-26-4222.30 g/mol

Open in Covalent MOL file
SHNONH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H18N2O3S
Molar mass
222.30 g/mol
Exact mass
222.1038 Da
logP
0.64Crippen estimate
Polar surface area
104.2 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
7

Hazards

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

Identifiers

CAS number
5072-26-4
SMILES
CCCCS(=N)(=O)CCC(N)C(=O)O
InChIKey
KJQFBVYMGADDTQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-
  • Sulfoximine, S-(3-amino-3-carboxypropyl)-S-butyl-
  • Sulfoximine, 3-amino-3-carboxypropyl butyl
  • 2-Amino-4-(S-butylsulfonimidoyl)butanoic acid
  • Butionine sulfoximine
  • DL-Buthionine (S,R)-sulfoximine
  • NSC 381100

Work with Buthionine sulfoximine

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

D-Norleucine327-56-061 % similar Norleucine327-57-161 % similar (±)-Norleucine616-06-861 % similar 2-Aminoheptanoic acid1115-90-859 % similar (±)-2-Aminooctanoic acid644-90-657 % similar 2-Aminohexadecanoic acid7769-79-157 % similar L-Methionine sulfone7314-32-156 % similar (±)-Methionine sulfone820-10-056 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia