1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone

C15H28N2O4S — CID 71872134

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
SMILESCCC1CN(C(=O)CS(=O)(=O)C(C)C)CC1N1CCOCC1
InChIInChI=1S/C15H28N2O4S/c1-4-13-9-17(15(18)11-22(19,20)12(2)3)10-14(13)16-5-7-21-8-6-16/h12-14H,4-11H2,1-3H3
InChIKeyDUGKDSOLRIYBTD-UHFFFAOYSA-N
MW332.47 g/mol
LogP0.38
Rot. Bonds5

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone (PubChem CID 71872134) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
PubChem CID71872134
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
SMILESCCC1CN(C(=O)CS(=O)(=O)C(C)C)CC1N1CCOCC1
InChIInChI=1S/C15H28N2O4S/c1-4-13-9-17(15(18)11-22(19,20)12(2)3)10-14(13)16-5-7-21-8-6-16/h12-14H,4-11H2,1-3H3
InChIKeyDUGKDSOLRIYBTD-UHFFFAOYSA-N
XLogP0.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 98785151
1-[(2S)-1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
CID 98787422
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
[(2R)-1,4-dioxan-2-yl]-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98787381
1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 97026411
1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97026533
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 71927864
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 71927855
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 154737500
(2R)-1-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-propylsulfonylpropan-1-one
CID 100837739
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 97026725
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone (CID 71872134) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone is CCC1CN(C(=O)CS(=O)(=O)C(C)C)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone?
The InChIKey is DUGKDSOLRIYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-4-13-9-17(15(18)11-22(19,20)12(2)3)10-14(13)16-5-7-21-8-6-16/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone has a molecular weight of 332.47 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 71872134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).