[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H15FN2O4S — CID 168675433

IUPAC[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN(C)C(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-11(2)9(14)5-12-4-7(3-8(12)13)6-17(10,15)16/h7H,3-6H2,1-2H3
InChIKeyYCBSBIJKKHUOSK-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.78
Rot. Bonds4

About [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675433) has the molecular formula C9H15FN2O4S and a molecular weight of 266.29 g/mol. Its IUPAC name is [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675433
Molecular FormulaC9H15FN2O4S
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN(C)C(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-11(2)9(14)5-12-4-7(3-8(12)13)6-17(10,15)16/h7H,3-6H2,1-2H3
InChIKeyYCBSBIJKKHUOSK-UHFFFAOYSA-N
XLogP-0.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 168674637
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724
(1-Butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[1-(2,2-Dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675043
(1-Tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675044
[1-[2-(Tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
tert-butyl N-[2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]ethyl]-N-methylcarbamate
CID 168675049
[1-[3-(Dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675140
[1-(3-Methylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675157
[1-(2-Methylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675158

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675433) is [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CN(C)C(=O)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YCBSBIJKKHUOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O4S/c1-11(2)9(14)5-12-4-7(3-8(12)13)6-17(10,15)16/h7H,3-6H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.29 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).