(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride

C10H18FNO3S — CID 168674803

IUPAC(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-3-4-8(2)12-6-9(5-10(12)13)7-16(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyVHRNDNHIBSFECI-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.32
Rot. Bonds5

About (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride

(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168674803) has the molecular formula C10H18FNO3S and a molecular weight of 251.32 g/mol. Its IUPAC name is (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168674803
Molecular FormulaC10H18FNO3S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-3-4-8(2)12-6-9(5-10(12)13)7-16(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyVHRNDNHIBSFECI-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
1-(2-Methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
CID 138027452
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methylpropane-1-sulfonamide
CID 164638512
2-(2-Methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
CID 142970655
1-Ethyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461338
1-Methyl-5-oxopyrrolidine-3-sulfonyl fluoride
CID 165461728
[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-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673601
[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

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride (CID 168674803) is (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride is CCCC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is VHRNDNHIBSFECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3S/c1-3-4-8(2)12-6-9(5-10(12)13)7-16(11,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
(5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 251.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-pentan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168674803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).