1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H10FN3O4S — CID 168714189

IUPAC1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccnc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H10FN3O4S/c1-17-7-2-3-11-9(12-7)13-5-6(4-8(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3
InChIKeyBPMVKPNBNYSJFZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.11
Rot. Bonds3

About 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714189) has the molecular formula C9H10FN3O4S and a molecular weight of 275.26 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714189
Molecular FormulaC9H10FN3O4S
Molecular Weight275.26 g/mol
Exact Mass275.04
IUPAC Name1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1ccnc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H10FN3O4S/c1-17-7-2-3-11-9(12-7)13-5-6(4-8(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3
InChIKeyBPMVKPNBNYSJFZ-UHFFFAOYSA-N
XLogP-0.11
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.11
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-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714189) is 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1ccnc(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BPMVKPNBNYSJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4S/c1-17-7-2-3-11-9(12-7)13-5-6(4-8(13)14)18(10,15)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.26 g/mol, XLogP of -0.11, 3 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-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).