N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide

C17H27N3O3S — CID 133114350

IUPACN-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
SMILESCCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cc1cccnc1
InChIInChI=1S/C17H27N3O3S/c1-3-5-15-12-20(8-9-24(2,22)23)13-16(15)19-17(21)10-14-6-4-7-18-11-14/h4,6-7,11,15-16H,3,5,8-10,12-13H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyWAYRYUQHADUWDL-HZPDHXFCSA-N
MW353.49 g/mol
LogP0.89
Rot. Bonds8

About N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide

N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide (PubChem CID 133114350) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
PubChem CID133114350
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
SMILESCCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cc1cccnc1
InChIInChI=1S/C17H27N3O3S/c1-3-5-15-12-20(8-9-24(2,22)23)13-16(15)19-17(21)10-14-6-4-7-18-11-14/h4,6-7,11,15-16H,3,5,8-10,12-13H2,1-2H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyWAYRYUQHADUWDL-HZPDHXFCSA-N
XLogP0.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 154899016
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 91922913
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 91922899
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-[(3R,4S)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 72930062
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide (CID 133114350) is N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide is CCC[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)Cc1cccnc1.
What is the InChIKey of N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
The InChIKey is WAYRYUQHADUWDL-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-5-15-12-20(8-9-24(2,22)23)13-16(15)19-17(21)10-14-6-4-7-18-11-14/h4,6-7,11,15-16H,3,5,8-10,12-13H2,1-2H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide?
N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide has a molecular weight of 353.49 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 133114350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).