2-(3-Thienyl)pyrrolidine

C8H11NSCAS 298690-85-4153.24 g/mol

Open in Covalent MOL file
HNS
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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 (R)-2-(4-Fluorophenyl)pyrrolidine298690-89-850 % similar (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-150 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-850 % similar 2-(4-Chlorophenyl)pyrrolidine38944-14-850 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-950 % similar 2-(3-Furanyl)pyrrolidine383127-25-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Thien-2-yl)pyrrolidine90090-64-5

Elsewhere

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