chempirical

Naratriptan

C17H25N3O2SCAS 121679-13-8335.47 g/mol

Open in Covalent MOL file
HNSOONHN
SulfonamideTertiary amine

Properties

Molecular formula
C17H25N3O2S
Molar mass
335.47 g/mol
Exact mass
335.1667 Da
Melting point
170–171 °C
logP
2.07Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
121679-13-8
SMILES
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIKey
AMKVXSZCKVJAGH-UHFFFAOYSA-N
InChI
InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole-5-ethanesulfonamide, N-methyl-3-(1-methyl-4-piperidinyl)-
  • N-Methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide
  • N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide

Work with Naratriptan

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.

N-Methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide hydrochloride143388-64-1Salt

Similar compounds

3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol57477-39-154 % similar Sumatriptan103628-46-251 % similar N-Methyl-1H-indole-5-ethanesulphonamide98623-50-849 % similar 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide88919-22-645 % similar Sumatriptan succinate103628-48-444 % similar Eletriptan143322-58-139 % similar Eletriptan hydrobromide177834-92-338 % similar 3-(4-Piperidinyl)-1H-indole17403-09-732 % similar

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

Same formula

Almotriptan154323-57-6 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole54230-60-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook