1-(Methanesulfonyl)piperidin-4-amine

C₆H₁₄N₂O₂SCAS 402927-97-3178.25 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₆H₁₄N₂O₂S
Molar mass: 178.25 g/mol
Exact mass: 178.0776 Da
logP: -0.63Crippen 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

402927-97-3

SMILES

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

InChIKey

FLQSRSQNICPZIH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-(Methylsulfonyl)piperidin-4-amine

Work with 1-(Methanesulfonyl)piperidin-4-amine

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-Methanesulfonylpiperidin-4-amine hydrochloride651057-01-1Salt

Similar compounds

1-Methanesulfonyl-piperazine55276-43-250 % similar 4-Amino-1-methylpiperidine41838-46-444 % similar 1-(1-Methylethyl)-4-piperidinamine127285-08-941 % similar 1-Ethylpiperidin-4-amine50534-45-741 % similar 1-(4-Aminopiperidin-1-yl)ethan-1-one160357-94-841 % similar 4-Amino-1-methylpiperidine dihydrochloride1193-03-940 % similar 1-Propylpiperidin-4-amine42389-59-340 % similar 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide210240-20-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethylsulfonyl-piperazine62937-96-6 4-(2-Aminoethyl)thiomorpholine 1,1-dioxide89937-52-0

Elsewhere

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