(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C19H23NO3S — CID 162407870

IUPAC(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc([C@@H]2CC[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-11-18(12-5-14)24(21,22)20-15(2)6-13-19(20)16-7-9-17(23-3)10-8-16/h4-5,7-12,15,19H,6,13H2,1-3H3/t15-,19-/m0/s1
InChIKeyXMUQBXVPUNCBIN-KXBFYZLASA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds4

About (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 162407870) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID162407870
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc([C@@H]2CC[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-11-18(12-5-14)24(21,22)20-15(2)6-13-19(20)16-7-9-17(23-3)10-8-16/h4-5,7-12,15,19H,6,13H2,1-3H3/t15-,19-/m0/s1
InChIKeyXMUQBXVPUNCBIN-KXBFYZLASA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407869
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
CID 16663379
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
2-(bromomethyl)-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102099481
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
(2S,5R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidine
CID 162399176
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 162407870) is (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is COc1ccc([C@@H]2CC[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is XMUQBXVPUNCBIN-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-4-11-18(12-5-14)24(21,22)20-15(2)6-13-19(20)16-7-9-17(23-3)10-8-16/h4-5,7-12,15,19H,6,13H2,1-3H3/t15-,19-/m0/s1.
What are the key properties of (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 345.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 162407870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).