[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H12FN3O4S — CID 168675780

IUPAC[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1nccc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-18-10-12-3-2-8(13-10)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3
InChIKeyXUCSGMRYQVKXAL-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.14
Rot. Bonds4

About [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675780) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675780
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1nccc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-18-10-12-3-2-8(13-10)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3
InChIKeyXUCSGMRYQVKXAL-UHFFFAOYSA-N
XLogP0.14
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2-methoxypyrimidin-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-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675780) is [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1nccc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is XUCSGMRYQVKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-18-10-12-3-2-8(13-10)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3.
What are the key properties of [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).