[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H23FN2O3S — CID 168675251

IUPAC[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCN(CCN2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-11-2-4-15(5-3-11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyHRHKAOMNNZPLNV-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.87
Rot. Bonds5

About [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675251) has the molecular formula C13H23FN2O3S and a molecular weight of 306.40 g/mol. Its IUPAC name is [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675251
Molecular FormulaC13H23FN2O3S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC1CCN(CCN2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-11-2-4-15(5-3-11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3
InChIKeyHRHKAOMNNZPLNV-UHFFFAOYSA-N
XLogP0.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
1-(Propylsulfonyl)-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 3243034
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
2-(1-Methanesulfonylpyrrolidin-3-YL)-1-[4-(2-methylpropyl)piperazin-1-YL]ethan-1-one
CID 124072265
(1-Methylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 774896
N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 61383887
(4-Fluoro-1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 124055475
(1-Ethylsulfonylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 3469902
1-(Ethanesulfonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053458
4-Fluoro-1-(propane-2-sulfonyl)-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053461
4-Fluoro-1-methanesulfonyl-4-(pyrrolidine-1-carbonyl)piperidine
CID 124053462
2-[1-(3-Fluoro-2,2-dimethylpropyl)sulfonylpiperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146149300

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675251) is [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC1CCN(CCN2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is HRHKAOMNNZPLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3S/c1-11-2-4-15(5-3-11)6-7-16-9-12(8-13(16)17)10-20(14,18)19/h11-12H,2-10H2,1H3.
What are the key properties of [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).