1-[[(4-Nitrophenyl)methyl]sulfonyl]pyrrolidine

C₁₁H₁₄N₂O₄SCAS 340041-91-0270.30 g/mol

Open in Covalent MOL file

Nitro Sulfone Tertiary Amine

Properties

Molecular formula: C₁₁H₁₄N₂O₄S
Molar mass: 270.30 g/mol
Exact mass: 270.0674 Da
logP: 1.52Crippen estimate
Polar surface area: 80.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

340041-91-0

SMILES

O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC2)cc1

InChIKey

RCEYIHLMZBWOJK-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O4S/c14-13(15)11-5-3-10(4-6-11)9-18(16,17)12-7-1-2-8-12/h3-6H,1-2,7-9H2

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Names and synonyms

4 names

Pyrrolidine, 1-[[(4-nitrophenyl)methyl]sulfonyl]-
1-((4-Nitrobenzyl)sulfonyl)pyrrolidine
1-(4-Nitrophenylmethanesulfonyl)pyrrolidine
1-[(4-Nitrophenyl)methanesulfonyl]pyrrolidine

Work with 1-[[(4-Nitrophenyl)methyl]sulfonyl]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

Elsewhere

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