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

C10H12FN3O3S — CID 168676056

IUPAC[1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ncc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H12FN3O3S/c1-7-12-3-9(4-13-7)14-5-8(2-10(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3
InChIKeyKEKOYHJCHOIIDG-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.44
Rot. Bonds3

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

[1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676056) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676056
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name[1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1ncc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H12FN3O3S/c1-7-12-3-9(4-13-7)14-5-8(2-10(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3
InChIKeyKEKOYHJCHOIIDG-UHFFFAOYSA-N
XLogP0.44
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676056) is [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1ncc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is KEKOYHJCHOIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c1-7-12-3-9(4-13-7)14-5-8(2-10(14)15)6-18(11,16)17/h3-4,8H,2,5-6H2,1H3.
What are the key properties of [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 273.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).