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

C₅H₁₂ClNO₂SCAS 116529-31-8185.67 g/mol

Open in Covalent MOL file

Primary amine Sulfone

Properties

Molecular formula: C₅H₁₂ClNO₂S
Molar mass: 185.67 g/mol
Exact mass: 185.0277 Da
logP: -0.06Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

116529-31-8

SMILES

C1CS(=O)(=O)CCC1N.Cl

InChIKey

XUECUYGAJXDZKG-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

4-Amino-1lambda6-thiane-1,1-dione hydrochloride

Work with 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride

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

Cyclobutylammonium chloride6291-01-648 % similar Cyclohexylammonium chloride4998-76-946 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-142 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-741 % similar trans-4-Aminocyclohexanol hydrochloride50910-54-841 % similar trans-1,4-Diaminocyclohexane2615-25-038 % similar 1,4-Diaminocyclohexane3114-70-338 % similar

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

Same formula

Ethyl cysteinate hydrochloride868-59-7

Elsewhere

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