2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C17H30N2O3S — CID 129430392

IUPAC2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H30N2O3S/c1-2-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-23(21,22)14-7-3-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyOUDGSFRTHPRYMC-JKSUJKDBSA-N
MW342.51 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 129430392) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID129430392
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H30N2O3S/c1-2-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-23(21,22)14-7-3-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1
InChIKeyOUDGSFRTHPRYMC-JKSUJKDBSA-N
XLogP1.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426701
(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 129428215
3-cyclopentylsulfonyl-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95291855
2-[(2R)-2-[(2S)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
CID 95305600
1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 129430447
1-[2-(1-ethylpyrrolidin-2-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780300
(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 95323894
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129430336
[(3R)-1,1-dioxothiolan-3-yl]-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430499
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430501
2-cyclopentylsulfonyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95605681

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 129430392) is 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is OUDGSFRTHPRYMC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-2-18-11-5-9-15(18)16-10-6-12-19(16)17(20)13-23(21,22)14-7-3-4-8-14/h14-16H,2-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 342.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129430392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).