[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H16FNO4S — CID 168675369

IUPAC[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO4S/c1-2-15-4-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3
InChIKeyHYOWIWXWDLIDEK-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.17
Rot. Bonds6

About [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675369) has the molecular formula C9H16FNO4S and a molecular weight of 253.29 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675369
Molecular FormulaC9H16FNO4S
Molecular Weight253.29 g/mol
Exact Mass253.08
IUPAC Name[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO4S/c1-2-15-4-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3
InChIKeyHYOWIWXWDLIDEK-UHFFFAOYSA-N
XLogP0.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2-ethoxyethyl)-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-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675369) is [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCOCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is HYOWIWXWDLIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO4S/c1-2-15-4-3-11-6-8(5-9(11)12)7-16(10,13)14/h8H,2-7H2,1H3.
What are the key properties of [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 253.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).