1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C13H23FN2O3S — CID 168713031

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC1CCCC(C)N1CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C13H23FN2O3S/c1-10-4-3-5-11(2)16(10)7-6-15-9-12(8-13(15)17)20(14,18)19/h10-12H,3-9H2,1-2H3
InChIKeyQLAZERDYVYIAAV-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713031) has the molecular formula C13H23FN2O3S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713031
Molecular FormulaC13H23FN2O3S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCC1CCCC(C)N1CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C13H23FN2O3S/c1-10-4-3-5-11(2)16(10)7-6-15-9-12(8-13(15)17)20(14,18)19/h10-12H,3-9H2,1-2H3
InChIKeyQLAZERDYVYIAAV-UHFFFAOYSA-N
XLogP1.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propan-2-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 44588406
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
2-(1-Acetylpiperidin-2-yl)ethane-1-sulfonyl fluoride
CID 165453303
[1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674626
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627
[1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674633
[1-[3-(2-Methylpiperidin-1-yl)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674779
[1-[2-(2-Methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674780
[1-[2-(2-Ethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674800
(1-Heptan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674810
[5-Oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675164

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713031) is 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CC1CCCC(C)N1CCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is QLAZERDYVYIAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3S/c1-10-4-3-5-11(2)16(10)7-6-15-9-12(8-13(15)17)20(14,18)19/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 306.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).