(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride

C10H17FN2O3S — CID 168674952

IUPAC(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1C1CCCNC1
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)7-8-4-10(14)13(6-8)9-2-1-3-12-5-9/h8-9,12H,1-7H2
InChIKeyDZUSTRZNSZNYPZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.11
Rot. Bonds3

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

(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168674952) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168674952
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1C1CCCNC1
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)7-8-4-10(14)13(6-8)9-2-1-3-12-5-9/h8-9,12H,1-7H2
InChIKeyDZUSTRZNSZNYPZ-UHFFFAOYSA-N
XLogP-0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-[2-(dimethylamino)ethyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3636220
N-[[1-(3-fluoropropylsulfonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120023952
3-fluoro-2,2-dimethyl-N-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]propane-1-sulfonamide
CID 146105210
[1-[2-(3,5-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674626
[1-[2-(2,6-Dimethylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674627
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649
[1-[(1S,2S)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674655
[1-[(1S,2R)-2-aminocyclohexyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674658
[1-(1-Aminopropan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674723
[1-(2-Aminopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674724

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride (CID 168674952) is (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1C1CCCNC1.
What is the InChIKey of (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is DZUSTRZNSZNYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3S/c11-17(15,16)7-8-4-10(14)13(6-8)9-2-1-3-12-5-9/h8-9,12H,1-7H2.
What are the key properties of (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride?
(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 264.32 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-piperidin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168674952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).