[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride

C11H20FNO4S — CID 168675285

IUPAC[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCOCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-2-5-17-6-3-4-13-8-10(7-11(13)14)9-18(12,15)16/h10H,2-9H2,1H3
InChIKeyFPYTWSUYOURVQZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.95
Rot. Bonds8

About [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675285) has the molecular formula C11H20FNO4S and a molecular weight of 281.35 g/mol. Its IUPAC name is [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675285
Molecular FormulaC11H20FNO4S
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Name[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCOCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-2-5-17-6-3-4-13-8-10(7-11(13)14)9-18(12,15)16/h10H,2-9H2,1H3
InChIKeyFPYTWSUYOURVQZ-UHFFFAOYSA-N
XLogP0.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-oxo-1-(3-propoxypropyl)pyrrolidin-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 [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675285) is [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride is CCCOCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FPYTWSUYOURVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4S/c1-2-5-17-6-3-4-13-8-10(7-11(13)14)9-18(12,15)16/h10H,2-9H2,1H3.
What are the key properties of [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 281.35 g/mol, XLogP of 0.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-propoxypropyl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).