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

C17H30N2O3S — CID 95306760

IUPAC2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-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+/m1/s1
InChIKeyOUDGSFRTHPRYMC-CVEARBPZSA-N
MW342.51 g/mol
LogP1.82
Rot. Bonds5

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

2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95306760) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95306760
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC Name2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-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+/m1/s1
InChIKeyOUDGSFRTHPRYMC-CVEARBPZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95306760) is 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-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-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is OUDGSFRTHPRYMC-CVEARBPZSA-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+/m1/s1.
What are the key properties of 2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-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-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95306760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).