[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C12H21FN2O3S — CID 168676412

IUPAC[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCN1CCCC1
InChIInChI=1S/C12H21FN2O3S/c13-19(17,18)10-11-8-12(16)15(9-11)7-3-6-14-4-1-2-5-14/h11H,1-10H2
InChIKeyROMHVFXZVKUWIK-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.62
Rot. Bonds6

About [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676412) has the molecular formula C12H21FN2O3S and a molecular weight of 292.38 g/mol. Its IUPAC name is [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676412
Molecular FormulaC12H21FN2O3S
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCN1CCCC1
InChIInChI=1S/C12H21FN2O3S/c13-19(17,18)10-11-8-12(16)15(9-11)7-3-6-14-4-1-2-5-14/h11H,1-10H2
InChIKeyROMHVFXZVKUWIK-UHFFFAOYSA-N
XLogP0.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrrolidin-1-ylbutyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670896
[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676383
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
[1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676444
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676424
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[5-oxo-1-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676592
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674730
[1-[(1-cyclopentylpiperidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674958

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676412) is [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCCN1CCCC1.
What is the InChIKey of [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is ROMHVFXZVKUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O3S/c13-19(17,18)10-11-8-12(16)15(9-11)7-3-6-14-4-1-2-5-14/h11H,1-10H2.
What are the key properties of [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 292.38 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).