2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine

C23H24N2O2S — CID 95834680

IUPAC2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
SMILESCc1cc(Cc2ccccc2)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H24N2O2S/c1-18-14-20(15-19-8-4-2-5-9-19)16-23(24-18)21-12-13-25(17-21)28(26,27)22-10-6-3-7-11-22/h2-11,14,16,21H,12-13,15,17H2,1H3/t21-/m1/s1
InChIKeyYMRVMMSPHUAGFJ-OAQYLSRUSA-N
MW392.52 g/mol
LogP4.16
Rot. Bonds5

About 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine

2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine (PubChem CID 95834680) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine.

Molecular Properties

Compound Name2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
PubChem CID95834680
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
SMILESCc1cc(Cc2ccccc2)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C23H24N2O2S/c1-18-14-20(15-19-8-4-2-5-9-19)16-23(24-18)21-12-13-25(17-21)28(26,27)22-10-6-3-7-11-22/h2-11,14,16,21H,12-13,15,17H2,1H3/t21-/m1/s1
InChIKeyYMRVMMSPHUAGFJ-OAQYLSRUSA-N
XLogP4.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
4,6-dimethyl-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine
CID 175652484
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
2-methyl-1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834676
1-(benzenesulfonyl)-3-butan-2-ylpyrrolidine
CID 134383141
4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-(methylamino)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 110250874

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine?
The IUPAC name of 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine (CID 95834680) is 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine.
What is the SMILES notation for 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine?
The canonical SMILES for 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine is Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1.
What is the InChIKey of 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine?
The InChIKey is YMRVMMSPHUAGFJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-18-14-20(15-19-8-4-2-5-9-19)16-23(24-18)21-12-13-25(17-21)28(26,27)22-10-6-3-7-11-22/h2-11,14,16,21H,12-13,15,17H2,1H3/t21-/m1/s1.
What are the key properties of 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine?
2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine has a molecular weight of 392.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine is sourced from PubChem (CID 95834680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).