(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride

C8H10FNO3S — CID 168675025

IUPAC(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESC#CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H10FNO3S/c1-2-3-10-5-7(4-8(10)11)6-14(9,12)13/h1,7H,3-6H2
InChIKeyFECCZRURZUEOLP-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.23
Rot. Bonds3

About (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride

(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675025) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675025
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride
SMILESC#CCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C8H10FNO3S/c1-2-3-10-5-7(4-8(10)11)6-14(9,12)13/h1,7H,3-6H2
InChIKeyFECCZRURZUEOLP-UHFFFAOYSA-N
XLogP-0.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-oxo-1-prop-2-ynylpyrrolidin-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-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675025) is (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride is C#CCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is FECCZRURZUEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-2-3-10-5-7(4-8(10)11)6-14(9,12)13/h1,7H,3-6H2.
What are the key properties of (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride?
(5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 219.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-prop-2-ynylpyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).