[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide

C21H28N2O2S — CID 154861670

IUPAC[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1CC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2S/c22-26(24,25)17-21-12-7-13-23(21)16-20(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,22,24,25)
InChIKeyJIQVFMCKZFZMBW-UHFFFAOYSA-N
MW372.53 g/mol
LogP2.84
Rot. Bonds8

About [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide

[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide (PubChem CID 154861670) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
PubChem CID154861670
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1CC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O2S/c22-26(24,25)17-21-12-7-13-23(21)16-20(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,22,24,25)
InChIKeyJIQVFMCKZFZMBW-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
[(2S)-1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 95629781
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 166371195
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 122150909
[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
CID 101393786
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893

Frequently Asked Questions

What is the IUPAC name of [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide (CID 154861670) is [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1CC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is JIQVFMCKZFZMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c22-26(24,25)17-21-12-7-13-23(21)16-20(14-18-8-3-1-4-9-18)15-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H2,22,24,25).
What are the key properties of [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide?
[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 154861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).