(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride

C5H8FNO3S — CID 165481701

IUPAC(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride
SMILESO=C1CCC(CS(=O)(=O)F)N1
InChIInChI=1S/C5H8FNO3S/c6-11(9,10)3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyDNAOTBAGNYMRPF-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.44
Rot. Bonds2

About (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride

(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride (PubChem CID 165481701) has the molecular formula C5H8FNO3S and a molecular weight of 181.19 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride
PubChem CID165481701
Molecular FormulaC5H8FNO3S
Molecular Weight181.19 g/mol
Exact Mass181.02
IUPAC Name(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride
SMILESO=C1CCC(CS(=O)(=O)F)N1
InChIInChI=1S/C5H8FNO3S/c6-11(9,10)3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)
InChIKeyDNAOTBAGNYMRPF-UHFFFAOYSA-N
XLogP-0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methyl-5-oxopyrrolidin-1-yl)ethanesulfonyl fluoride
CID 142970655
5-Oxopyrrolidine-3-sulfonyl fluoride
CID 131071626
1-(1-Aminopropan-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713127
1-(2-Aminopropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713128
1-(1-Aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713195
1-(3-Aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713196
5-Oxo-1-piperidin-3-ylpyrrolidine-3-sulfonyl fluoride
CID 168713356
5-oxo-1-[(3R)-piperidin-3-yl]pyrrolidine-3-sulfonyl fluoride
CID 168713425
5-Oxo-1-piperidin-4-ylpyrrolidine-3-sulfonyl fluoride
CID 168714760
1-(6-Aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714803
1-(5-Aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714805
1-[3-(Cyclohexylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714819

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride (CID 165481701) is (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride is O=C1CCC(CS(=O)(=O)F)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride?
The InChIKey is DNAOTBAGNYMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO3S/c6-11(9,10)3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8).
What are the key properties of (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride?
(5-oxopyrrolidin-2-yl)methanesulfonyl fluoride has a molecular weight of 181.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methanesulfonyl fluoride is sourced from PubChem (CID 165481701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).