(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

C11H20FNO3S — CID 168674808

IUPAC(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3
InChIKeyIRJJLEPIPPJYDX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.71
Rot. Bonds6

About (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168674808) has the molecular formula C11H20FNO3S and a molecular weight of 265.35 g/mol. Its IUPAC name is (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168674808
Molecular FormulaC11H20FNO3S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3
InChIKeyIRJJLEPIPPJYDX-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
CID 138027452
2-(2-Methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
CID 142970655
[1-(2-Methylcyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 166409025
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672446
[1-(2,3-Dimethylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674616
[5-Oxo-1-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674624
[1-(2-Methylcyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674625
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627
[1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674633
[5-Oxo-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674664
[1-(3-Methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674699
[1-(5-Methylhexan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674705

Frequently Asked Questions

What is the IUPAC name of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168674808) is (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CCCCC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is IRJJLEPIPPJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3S/c1-3-4-5-9(2)13-7-10(6-11(13)14)8-17(12,15)16/h9-10H,3-8H2,1-2H3.
What are the key properties of (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 265.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168674808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).