4-Aminotetrahydro-2H-thiopyran 1,1-dioxide

C₅H₁₁NO₂SCAS 210240-20-3149.21 g/mol

Open in Covalent MOL file

Primary amine Sulfone

Properties

Molecular formula: C₅H₁₁NO₂S
Molar mass: 149.21 g/mol
Exact mass: 149.0510 Da
logP: -0.48Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

210240-20-3

SMILES

C1CS(=O)(=O)CCC1N

InChIKey

KZKYCKOUODFYBV-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4,6H2

Weigh it out

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

Names and synonyms

1 names

2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide

Work with 4-Aminotetrahydro-2H-thiopyran 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

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.

4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride116529-31-8Salt

Similar compounds

trans-1,4-Diaminocyclohexane2615-25-044 % similar 1,4-Diaminocyclohexane3114-70-344 % similar Cyclopropylamine765-30-044 % similar Cyclopentylamine1003-03-840 % similar Sulfolane126-33-040 % similar Cyclobutylamine2516-34-940 % similar 1-(Methanesulfonyl)piperidin-4-amine402927-97-339 % similar Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide64096-87-339 % similar

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

Same formula

L-Penicillamine1113-41-3 D-Methionine348-67-4 (±)-Penicillamine52-66-4 (-)-Penicillamine52-67-5 (±)-Methionine59-51-8 Methionine63-68-3

Elsewhere

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