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

C9H15FN2O4S — CID 168675214

IUPAC[1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-7(13)11-2-3-12-5-8(4-9(12)14)6-17(10,15)16/h8H,2-6H2,1H3,(H,11,13)
InChIKeyMJNBEAFKQIMSFW-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.73
Rot. Bonds5

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

[1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675214) has the molecular formula C9H15FN2O4S and a molecular weight of 266.29 g/mol. Its IUPAC name is [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675214
Molecular FormulaC9H15FN2O4S
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name[1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-7(13)11-2-3-12-5-8(4-9(12)14)6-17(10,15)16/h8H,2-6H2,1H3,(H,11,13)
InChIKeyMJNBEAFKQIMSFW-UHFFFAOYSA-N
XLogP-0.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
[(3S,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452565
[(3R,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452567
[(3S,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452569
(3,4-Dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 131492641
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724
tert-butyl N-[1-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propan-2-yl]carbamate
CID 168674727
[1-[2-(2-Hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730
[1-(1-Aminopentan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674791
[1-(3-Aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674792
(5-Oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674952

Frequently Asked Questions

What is the IUPAC name of [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675214) is [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(=O)NCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MJNBEAFKQIMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O4S/c1-7(13)11-2-3-12-5-8(4-9(12)14)6-17(10,15)16/h8H,2-6H2,1H3,(H,11,13).
What are the key properties of [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.29 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).