3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide

C16H24N2O3S — CID 32746263

IUPAC3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O3S/c17-16(19)8-11-22(20,21)12-10-18-9-4-7-15(18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m1/s1
InChIKeyAVMSVJMLXVECNY-OAHLLOKOSA-N
MW324.45 g/mol
LogP0.98
Rot. Bonds8

About 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide

3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide (PubChem CID 32746263) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
PubChem CID32746263
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O3S/c17-16(19)8-11-22(20,21)12-10-18-9-4-7-15(18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m1/s1
InChIKeyAVMSVJMLXVECNY-OAHLLOKOSA-N
XLogP0.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide
CID 56526172
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylic acid
CID 43441535
3-benzylsulfonylpropanamide;hydrochloride
CID 142652348
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
3-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one;hydrochloride
CID 2893298
4-(2-benzylpyrrolidin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
CID 23850341

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide (CID 32746263) is 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN1CCC[C@@H]1Cc1ccccc1.
What is the InChIKey of 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide?
The InChIKey is AVMSVJMLXVECNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c17-16(19)8-11-22(20,21)12-10-18-9-4-7-15(18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,17,19)/t15-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide?
3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 32746263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).