3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide

C10H15FN4O3S — CID 119100423

IUPAC3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O3S/c1-14(2)19(16,17)15-4-3-9(7-15)18-10-12-5-8(11)6-13-10/h5-6,9H,3-4,7H2,1-2H3
InChIKeyAGNPVKCYADEYCP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.12
Rot. Bonds4

About 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide

3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 119100423) has the molecular formula C10H15FN4O3S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID119100423
Molecular FormulaC10H15FN4O3S
Molecular Weight290.32 g/mol
Exact Mass290.08
IUPAC Name3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C10H15FN4O3S/c1-14(2)19(16,17)15-4-3-9(7-15)18-10-12-5-8(11)6-13-10/h5-6,9H,3-4,7H2,1-2H3
InChIKeyAGNPVKCYADEYCP-UHFFFAOYSA-N
XLogP-0.12
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide (CID 119100423) is 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is AGNPVKCYADEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O3S/c1-14(2)19(16,17)15-4-3-9(7-15)18-10-12-5-8(11)6-13-10/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide?
3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 290.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)oxy-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 119100423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).