4-(2-Aminoethyl)thiomorpholine 1,1-dioxide

C₆H₁₄N₂O₂SCAS 89937-52-0178.25 g/mol

Open in Covalent MOL file

Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₆H₁₄N₂O₂S
Molar mass: 178.25 g/mol
Exact mass: 178.0776 Da
logP: -1.32Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

89937-52-0

SMILES

C1CS(=O)(=O)CCN1CCN

InChIKey

NICIHZYGEQHDPN-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2O2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-7H2

Weigh it out

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

Work with 4-(2-Aminoethyl)thiomorpholine 1,1-dioxide

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

4-(3-Aminopropyl)thiomorpholine 1,1-dioxide90000-25-275 % similar Tris(2-aminoethyl)amine4097-89-655 % similar 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide26475-62-754 % similar 1,4-Piperazinediethanamine6531-38-052 % similar 4-(3-Hydroxypropyl)thiomorpholine 1,1-dioxide205194-33-850 % similar 4-Aminothiomorpholine 1,1-dioxide26494-76-848 % similar 1-Pyrrolidineethanamine7154-73-648 % similar 1-Piperidineethanamine27578-60-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Methanesulfonyl)piperidin-4-amine402927-97-3 1-Ethylsulfonyl-piperazine62937-96-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook