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

C8H14FNO3S — CID 168675162

IUPAC(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H14FNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyASRBCEGBODYBNX-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.54
Rot. Bonds3

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

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675162) has the molecular formula C8H14FNO3S and a molecular weight of 223.27 g/mol. Its IUPAC name is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675162
Molecular FormulaC8H14FNO3S
Molecular Weight223.27 g/mol
Exact Mass223.07
IUPAC Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H14FNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyASRBCEGBODYBNX-UHFFFAOYSA-N
XLogP0.54
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-methyl-3-sulfanylbutanoic acid
CID 168674696
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
[1-[1-(2,5-difluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674739
[1-(4-methyl-4-phenylpentan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674714
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
CID 168675018
(2R)-3-(carboxymethylsulfanyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674998
[5-oxo-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674879

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675162) is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride is CC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is ASRBCEGBODYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 223.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).