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

C11H19N3O4S — CID 15622808

IUPAC1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-7-5-12(6-8-14)11(16)9-13-4-2-3-10(13)15/h2-9H2,1H3
InChIKeyPEGLARGIPAKSOW-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.29
Rot. Bonds3

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

1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 15622808) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID15622808
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O4S/c1-19(17,18)14-7-5-12(6-8-14)11(16)9-13-4-2-3-10(13)15/h2-9H2,1H3
InChIKeyPEGLARGIPAKSOW-UHFFFAOYSA-N
XLogP-1.29
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(8-methylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetamide
CID 97370259
1-Isopentyl-3-[4-(methylsulfonyl)piperazino]-2-pyrrolidinone
CID 91925854
1-[(1-Methylsulfonylpiperidin-2-yl)methyl]pyrrolidin-2-one
CID 132282805
4-Pyrrolidin-1-ylsulfonyl-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 136519513
1-(4-Methylsulfonylpiperazin-1-yl)butan-1-one
CID 2971308
1-[4-(4-Methylpiperazin-1-yl)butyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713875
1-[2-(4-Methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713877
1-[2-(4-Ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 15622809
1-[2-Oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one
CID 15622810
1-[2-(4-Butylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 15622811
N,N-dimethyl-4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazine-1-sulfonamide
CID 15622813
N-methyl-N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 58787222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 15622808) is 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is CS(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is PEGLARGIPAKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-19(17,18)14-7-5-12(6-8-14)11(16)9-13-4-2-3-10(13)15/h2-9H2,1H3.
What are the key properties of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 289.36 g/mol, XLogP of -1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 15622808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).