(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine

C17H19NO2S — CID 59100228

IUPAC(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
SMILESC[C@@H]1CC[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)21(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1
InChIKeyHUBMJCGJINYQJQ-RHSMWYFYSA-N
MW301.41 g/mol
LogP3.60
Rot. Bonds3

About (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine

(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine (PubChem CID 59100228) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
PubChem CID59100228
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
SMILESC[C@@H]1CC[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)21(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1
InChIKeyHUBMJCGJINYQJQ-RHSMWYFYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine?
The IUPAC name of (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine (CID 59100228) is (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine is C[C@@H]1CC[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine?
The InChIKey is HUBMJCGJINYQJQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-14-12-13-17(15-8-4-2-5-9-15)18(14)21(19,20)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3/t14-,17-/m1/s1.
What are the key properties of (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine?
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine has a molecular weight of 301.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine is sourced from PubChem (CID 59100228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).