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

C11H19FN2O3S — CID 168675461

IUPAC[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H19FN2O3S/c1-13-4-2-10(3-5-13)14-7-9(6-11(14)15)8-18(12,16)17/h9-10H,2-8H2,1H3
InChIKeyQRSPQFPJSBMUEC-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.23
Rot. Bonds3

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

[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675461) has the molecular formula C11H19FN2O3S and a molecular weight of 278.35 g/mol. Its IUPAC name is [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675461
Molecular FormulaC11H19FN2O3S
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C11H19FN2O3S/c1-13-4-2-10(3-5-13)14-7-9(6-11(14)15)8-18(12,16)17/h9-10H,2-8H2,1H3
InChIKeyQRSPQFPJSBMUEC-UHFFFAOYSA-N
XLogP0.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675461) is [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CN1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is QRSPQFPJSBMUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3S/c1-13-4-2-10(3-5-13)14-7-9(6-11(14)15)8-18(12,16)17/h9-10H,2-8H2,1H3.
What are the key properties of [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).