1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C12H21N3O4S — CID 15622809

IUPAC1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-2-20(18,19)15-8-6-13(7-9-15)12(17)10-14-5-3-4-11(14)16/h2-10H2,1H3
InChIKeyFEGAGLHDTAUGKW-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.90
Rot. Bonds4

About 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 15622809) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID15622809
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-2-20(18,19)15-8-6-13(7-9-15)12(17)10-14-5-3-4-11(14)16/h2-10H2,1H3
InChIKeyFEGAGLHDTAUGKW-UHFFFAOYSA-N
XLogP-0.90
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370261
3-[4-(Ethylsulfonyl)piperazino]-1-isopentyl-2-pyrrolidinone
CID 91913088
1-(2-Methoxyethyl)-3-[4-(propylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925737
3-[4-(Butylsulfonyl)piperazino]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 91925764
1-Isopentyl-3-[4-(isopropylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925890
4-Pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
4-[2-(1,1-Dioxo-1,2-thiazolidin-2-yl)acetyl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 128371554
2-[4-(3-Fluoro-2,2-dimethylpropyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 146149172
[1-[4-(4-Methylpiperazin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675471
[1-[2-(4-Methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675473
1-[2-(Dipropylamino)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 15622809) is 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is CCS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is FEGAGLHDTAUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-2-20(18,19)15-8-6-13(7-9-15)12(17)10-14-5-3-4-11(14)16/h2-10H2,1H3.
What are the key properties of 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 303.38 g/mol, XLogP of -0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 15622809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).