5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride

C9H15FN2O4S — CID 168713685

IUPAC5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESCCCNC(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-2-3-11-8(13)6-12-5-7(4-9(12)14)17(10,15)16/h7H,2-6H2,1H3,(H,11,13)
InChIKeyWKGKAHGGAOCMPB-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.59
Rot. Bonds5

About 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride

5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713685) has the molecular formula C9H15FN2O4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168713685
Molecular FormulaC9H15FN2O4S
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESCCCNC(=O)CN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H15FN2O4S/c1-2-3-11-8(13)6-12-5-7(4-9(12)14)17(10,15)16/h7H,2-6H2,1H3,(H,11,13)
InChIKeyWKGKAHGGAOCMPB-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,4-Difluoro-1-[2-(propanoylamino)acetyl]pyrrolidin-2-yl]methanesulfonyl fluoride
CID 170590204
N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
CID 135037692
[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-[2-(Tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
[5-Oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675168
[1-(3-Acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675213
[1-(2-Acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675214
[5-Oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675281
[1-[2-(Ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675317
[1-[2-(Dimethylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675433
[1-[2-(Methylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675484

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168713685) is 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride is CCCNC(=O)CN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is WKGKAHGGAOCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O4S/c1-2-3-11-8(13)6-12-5-7(4-9(12)14)17(10,15)16/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 266.29 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).