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

C8H15FN2O3S — CID 168675484

IUPAC[1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H15FN2O3S/c1-10-2-3-11-5-7(4-8(11)12)6-15(9,13)14/h7,10H,2-6H2,1H3
InChIKeyTXBJUYVOFDHIBU-UHFFFAOYSA-N
MW238.28 g/mol
LogP-0.65
Rot. Bonds5

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

[1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675484) has the molecular formula C8H15FN2O3S and a molecular weight of 238.28 g/mol. Its IUPAC name is [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675484
Molecular FormulaC8H15FN2O3S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name[1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H15FN2O3S/c1-10-2-3-11-5-7(4-8(11)12)6-15(9,13)14/h7,10H,2-6H2,1H3
InChIKeyTXBJUYVOFDHIBU-UHFFFAOYSA-N
XLogP-0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
[(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
[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
[1-(Azepan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674953

Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675484) is [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CNCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is TXBJUYVOFDHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3S/c1-10-2-3-11-5-7(4-8(11)12)6-15(9,13)14/h7,10H,2-6H2,1H3.
What are the key properties of [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 238.28 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).