2-(3-Thienyl)pyrrolidine

C₈H₁₁NSCAS 298690-85-4153.24 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₈H₁₁NS
Molar mass: 153.24 g/mol
Exact mass: 153.0612 Da
logP: 2.17Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

298690-85-4

SMILES

c1cc(C2CCCN2)cs1

InChIKey

XXZBVULUYZUNDS-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NS/c1-2-8(9-4-1)7-3-5-10-6-7/h3,5-6,8-9H,1-2,4H2

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

Names and synonyms

3 names

Pyrrolidine, 2-(3-thienyl)-
2-Thiophen-3-ylpyrrolidine
2-(Thiophen-3-yl)pyrrolidine

Work with 2-(3-Thienyl)pyrrolidine

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

2-Phenylpyrrolidine1006-64-055 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-452 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-950 % similar 2-(3-Furanyl)pyrrolidine383127-25-149 % similar 2-Phenylpiperidine3466-80-648 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-946 % similar 2-(3-Chlorophenyl)pyrrolidine298690-74-146 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-346 % similar

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

Elsewhere

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