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

C12H21FN2O3S — CID 168675307

IUPAC[1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C12H21FN2O3S/c1-2-14-5-3-11(4-6-14)15-8-10(7-12(15)16)9-19(13,17)18/h10-11H,2-9H2,1H3
InChIKeyBMUXIAFUKMBOMI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.62
Rot. Bonds4

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

[1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675307) has the molecular formula C12H21FN2O3S and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675307
Molecular FormulaC12H21FN2O3S
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name[1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C12H21FN2O3S/c1-2-14-5-3-11(4-6-14)15-8-10(7-12(15)16)9-19(13,17)18/h10-11H,2-9H2,1H3
InChIKeyBMUXIAFUKMBOMI-UHFFFAOYSA-N
XLogP0.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675307) is [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is BMUXIAFUKMBOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O3S/c1-2-14-5-3-11(4-6-14)15-8-10(7-12(15)16)9-19(13,17)18/h10-11H,2-9H2,1H3.
What are the key properties of [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 292.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).