1-Methanesulfonylpiperidin-4-amine hydrochloride

C₆H₁₅ClN₂O₂SCAS 651057-01-1214.71 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₆H₁₅ClN₂O₂S
Molar mass: 214.71 g/mol
Exact mass: 214.0543 Da
logP: -0.21Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

651057-01-1

SMILES

CS(=O)(=O)N1CCC(CC1)N.Cl

InChIKey

BASBDQBWDDKEDK-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

1-(Methylsulfonyl)piperidin-4-amine hydrochloride

Work with 1-Methanesulfonylpiperidin-4-amine 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.

1-(Methanesulfonyl)piperidin-4-amine402927-97-3Free base

Similar compounds

4-Amino-1-methylpiperidine dihydrochloride1193-03-950 % similar 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride116529-31-845 % similar 1-Methanesulfonyl-piperazine55276-43-245 % similar 4-Amino-1-methylpiperidine41838-46-440 % similar Cyclobutylammonium chloride6291-01-639 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-739 % similar Cyclohexylamine hydrochloride4998-76-938 % similar 1-(1-Methylethyl)-4-piperidinamine127285-08-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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