N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide

C19H22N2O2S — CID 94020513

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
SMILESC[S@@](=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O2S/c1-24(23)18-9-7-16(8-10-18)19(22)20-17-11-12-21(14-17)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,20,22)/t17-,24-/m1/s1
InChIKeyYUUBBRCMZHIXOU-MZNJEOGPSA-N
MW342.46 g/mol
LogP2.43
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide (PubChem CID 94020513) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
PubChem CID94020513
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
SMILESC[S@@](=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O2S/c1-24(23)18-9-7-16(8-10-18)19(22)20-17-11-12-21(14-17)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,20,22)/t17-,24-/m1/s1
InChIKeyYUUBBRCMZHIXOU-MZNJEOGPSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
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N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
CID 46508173
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
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CID 26681867
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide (CID 94020513) is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide is C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide?
The InChIKey is YUUBBRCMZHIXOU-MZNJEOGPSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-24(23)18-9-7-16(8-10-18)19(22)20-17-11-12-21(14-17)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H,20,22)/t17-,24-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide is sourced from PubChem (CID 94020513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).