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

C10H12FN3O4S — CID 168675785

IUPAC[1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ccnc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-18-8-2-3-12-10(13-8)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3
InChIKeyKPXABNNBHHUIBV-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.14
Rot. Bonds4

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

[1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675785) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675785
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name[1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ccnc(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H12FN3O4S/c1-18-8-2-3-12-10(13-8)14-5-7(4-9(14)15)6-19(11,16)17/h2-3,7H,4-6H2,1H3
InChIKeyKPXABNNBHHUIBV-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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675785) is [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1ccnc(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is KPXABNNBHHUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c1-18-8-2-3-12-10(13-8)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-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-methoxypyrimidin-2-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-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).