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

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

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

Weigh it out

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

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-dioxide210240-20-3Free base

Similar compounds

Cyclobutylammonium chloride6291-01-648 % similar Cyclohexylamine hydrochloride4998-76-946 % similar 1-Methanesulfonylpiperidin-4-amine hydrochloride651057-01-145 % similar 4-Aminocyclohexanone hydrochloride675112-40-043 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-142 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar Thiomorpholine 1,1-dioxide hydrochloride59801-62-642 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-741 % 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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