3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide

C₁₂H₁₇N₃O₂SCAS 88919-22-6267.35 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₁₂H₁₇N₃O₂S
Molar mass: 267.35 g/mol
Exact mass: 267.1041 Da
Melting point: 134–136 °C
logP: 0.72Crippen estimate
Polar surface area: 88.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Identifiers

CAS number

88919-22-6

SMILES

CNS(=O)(=O)Cc1ccc2[nH]cc(CCN)c2c1

InChIKey

MURZXKIEJFJMPP-UHFFFAOYSA-N

InChI

InChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3

Weigh it out

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

Names and synonyms

2 names

1H-Indole-5-methanesulfonamide, 3-(2-aminoethyl)-N-methyl-
1-[3-(2-Aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

Work with 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide

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

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

Elsewhere

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