(2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide

C₁₁H₁₆N₂O₂SCAS 902146-43-4240.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆N₂O₂S
Molar mass: 240.32 g/mol
Exact mass: 240.0932 Da
logP: 0.72Crippen estimate
Polar surface area: 40.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

902146-43-4

SMILES

CN(C)S(=O)(=O)N1C[C@@H]1Cc1ccccc1

InChIKey

BLDWVIFYJWKNPQ-AMGKYWFPSA-N

InChI

InChI=1S/C11H16N2O2S/c1-12(2)16(14,15)13-9-11(13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-,13?/m0/s1

Weigh it out

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

Names and synonyms

3 names

1-Aziridinesulfonamide, N,N-dimethyl-2-(phenylmethyl)-, (2S)-
(S)-2-Benzyl-N,N-dimethylaziridine-1-sulfonamide
(2S)-2-Benzyl-N,N-dimethylaziridine-1-sulfonamide

Work with (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide

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

2-Methyl-3-phenylpropionaldehyde5445-77-238 % similar Isobutylbenzene538-93-236 % similar (S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol111060-52-736 % similar Bensultap17606-31-436 % similar d-Amphetamine sulfate51-63-836 % similar (S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-935 % similar Phenylacetaldehyde dimethyl acetal101-48-433 % similar (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone101711-78-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-1 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate41840-28-2 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-1

Elsewhere

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