2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone

C17H25N3O4S — CID 129476531

IUPAC2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C17H25N3O4S/c1-2-25(22,23)13-16(21)20-11-7-14(12-20)24-15-6-5-8-18-17(15)19-9-3-4-10-19/h5-6,8,14H,2-4,7,9-13H2,1H3/t14-/m0/s1
InChIKeyXBMGSQIOYXKEQK-AWEZNQCLSA-N
MW367.47 g/mol
LogP1.10
Rot. Bonds6

About 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone

2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone (PubChem CID 129476531) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
PubChem CID129476531
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
SMILESCCS(=O)(=O)CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C17H25N3O4S/c1-2-25(22,23)13-16(21)20-11-7-14(12-20)24-15-6-5-8-18-17(15)19-9-3-4-10-19/h5-6,8,14H,2-4,7,9-13H2,1H3/t14-/m0/s1
InChIKeyXBMGSQIOYXKEQK-AWEZNQCLSA-N
XLogP1.10
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234
2-(furan-3-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129006594
1-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
CID 129329728
2-chloro-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 146095016
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 128973759
3-[2-oxo-2-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 129006642
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129472588
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329829
[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129476098
(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473831

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone (CID 129476531) is 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone is CCS(=O)(=O)CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.
What is the InChIKey of 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?
The InChIKey is XBMGSQIOYXKEQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-2-25(22,23)13-16(21)20-11-7-14(12-20)24-15-6-5-8-18-17(15)19-9-3-4-10-19/h5-6,8,14H,2-4,7,9-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone?
2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone has a molecular weight of 367.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129476531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).