Methionine sulfoximine

C₅H₁₂N₂O₃SCAS 15985-39-4180.22 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₁₂N₂O₃S
Molar mass: 180.22 g/mol
Exact mass: 180.0569 Da
logP: -0.54Crippen estimate
Polar surface area: 104.2 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15985-39-4

SMILES

CS(=N)(=O)CC[C@H](N)C(=O)O

InChIKey

SXTAYKAGBXMACB-DPVSGNNYSA-N

InChI

InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1

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Names and synonyms

12 names

Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-
Sulfoximine, S-(3-amino-3-carboxypropyl)-S-methyl-, L-(±)-
(2S)-2-Amino-4-(S-methylsulfonimidoyl)butanoic acid
L-Methionine sulfoximine
L-Methionine dl-sulfoximine
Methionine-dl-sulfoximine
L-Methionine (SR)-sulfoximine
L-Methionine-DL-sulfoximine
Glabrin (acyclic amino acid)
Glabrin
MSX (L-Methionine sulfoximine)
(2S)-2-Amino-4-[imino(methyl)oxo-λ6-sulfanyl]butanoic acid

Work with Methionine 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

L-Methionine sulfone7314-32-164 % similar (±)-Methionine sulfone820-10-064 % similar (±)-Homocysteic acid504-33-657 % similar Buthionine sulfoximine5072-26-456 % similar D-Norvaline2013-12-950 % similar Diaminopimelic acid583-93-750 % similar Norvaline6600-40-450 % similar (±)-Norvaline760-78-150 % similar

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

Elsewhere

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