[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H19FN2O4S — CID 168675207

IUPAC[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C12H19FN2O4S/c1-9(16)14-4-2-11(3-5-14)15-7-10(6-12(15)17)8-20(13,18)19/h10-11H,2-8H2,1H3
InChIKeyXIQXLRICFOTPSK-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.15
Rot. Bonds3

About [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675207) has the molecular formula C12H19FN2O4S and a molecular weight of 306.36 g/mol. Its IUPAC name is [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675207
Molecular FormulaC12H19FN2O4S
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(=O)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C12H19FN2O4S/c1-9(16)14-4-2-11(3-5-14)15-7-10(6-12(15)17)8-20(13,18)19/h10-11H,2-8H2,1H3
InChIKeyXIQXLRICFOTPSK-UHFFFAOYSA-N
XLogP0.15
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Propylsulfonyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 3243034
3-[4-(Ethylsulfonyl)piperazino]-1-isopentyl-2-pyrrolidinone
CID 91913088
4-Methyl-8-(3-methylbutanoyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923749
(4-Fluoro-1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 124055475
N-methyl-N-[1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]methanesulfonamide
CID 56208643
1-(Ethanesulfonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053458
4-Fluoro-1-(propane-2-sulfonyl)-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053461
tert-butyl (1S,5R)-6-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 168674611
[1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674617
[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-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674632

Frequently Asked Questions

What is the IUPAC name of [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675207) is [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(=O)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is XIQXLRICFOTPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S/c1-9(16)14-4-2-11(3-5-14)15-7-10(6-12(15)17)8-20(13,18)19/h10-11H,2-8H2,1H3.
What are the key properties of [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.36 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-acetylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).