1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one

C15H22N2O3S — CID 99790137

IUPAC1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ccc(N(C)CCN2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)14-8-6-13(7-9-14)16(2)11-12-17-10-4-5-15(17)18/h6-9H,3-5,10-12H2,1-2H3
InChIKeyNUFBXSXIWGHHGK-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.54
Rot. Bonds6

About 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one

1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one (PubChem CID 99790137) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one
PubChem CID99790137
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one
SMILESCCS(=O)(=O)c1ccc(N(C)CCN2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)14-8-6-13(7-9-14)16(2)11-12-17-10-4-5-15(17)18/h6-9H,3-5,10-12H2,1-2H3
InChIKeyNUFBXSXIWGHHGK-UHFFFAOYSA-N
XLogP1.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
CID 56549437
1-[2-(2,6-dichloro-N-methyl-4-nitroanilino)ethyl]pyrrolidin-2-one
CID 133454805
4-(4-ethylsulfonyl-N-methylanilino)butanoic acid
CID 43453320
1-(2-amino-4-ethylsulfonylphenyl)pyrrolidin-2-one
CID 57011643
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
4-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]pyridine-3-carboxamide
CID 133454804
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]pyrrolidin-2-one
CID 144760396
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
1-ethyl-3-[2-(N-methylanilino)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147742
1-ethyl-3-[3-(N-methylanilino)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147486

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one (CID 99790137) is 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one is CCS(=O)(=O)c1ccc(N(C)CCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one?
The InChIKey is NUFBXSXIWGHHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)14-8-6-13(7-9-14)16(2)11-12-17-10-4-5-15(17)18/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one?
1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfonyl-N-methylanilino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 99790137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).