[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

C10H17FN2O4S — CID 168675281

IUPAC[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCNC(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-2-3-12-9(14)6-13-5-8(4-10(13)15)7-18(11,16)17/h8H,2-7H2,1H3,(H,12,14)
InChIKeyNKUAGUAOKWDVMF-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.34
Rot. Bonds6

About [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675281) has the molecular formula C10H17FN2O4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675281
Molecular FormulaC10H17FN2O4S
Molecular Weight280.32 g/mol
Exact Mass280.09
IUPAC Name[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCNC(=O)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H17FN2O4S/c1-2-3-12-9(14)6-13-5-8(4-10(13)15)7-18(11,16)17/h8H,2-7H2,1H3,(H,12,14)
InChIKeyNKUAGUAOKWDVMF-UHFFFAOYSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 138006531
2-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 137976656
2-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 146124782
2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 146143535
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724
[5-Oxo-1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674915
[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]carbamate
CID 168675089
[1-(3-Amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675139
[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

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675281) is [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride is CCCNC(=O)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NKUAGUAOKWDVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4S/c1-2-3-12-9(14)6-13-5-8(4-10(13)15)7-18(11,16)17/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of [5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 280.32 g/mol, XLogP of -0.34, 6 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]pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).