(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

C12H14NO5S- — CID 2215363

IUPAC(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1
InChIInChI=1S/C12H15NO5S/c1-18-9-4-2-5-10(8-9)19(16,17)13-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,15)/p-1/t11-/m1/s1
InChIKeyWAIYOLBUTQTIHL-LLVKDONJSA-M
MW284.31 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 2215363) has the molecular formula C12H14NO5S- and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
PubChem CID2215363
Molecular FormulaC12H14NO5S-
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SMILESCOc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1
InChIInChI=1S/C12H15NO5S/c1-18-9-4-2-5-10(8-9)19(16,17)13-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,15)/p-1/t11-/m1/s1
InChIKeyWAIYOLBUTQTIHL-LLVKDONJSA-M
XLogP-0.40
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
methyl 1-(3-methoxyphenyl)sulfonylaziridine-2-carboxylate
CID 86623479
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
4-[1-(3-methoxyphenyl)sulfonylpiperidin-2-yl]butanoic acid
CID 139020353
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
1-(4-carboxylatophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3622357
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate (CID 2215363) is (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is COc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1.
What is the InChIKey of (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is WAIYOLBUTQTIHL-LLVKDONJSA-M. The full InChI is InChI=1S/C12H15NO5S/c1-18-9-4-2-5-10(8-9)19(16,17)13-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,15)/p-1/t11-/m1/s1.
What are the key properties of (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate?
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2215363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).