5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride

C10H12FN3O3S — CID 168714934

IUPAC5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cncnc1
InChIInChI=1S/C10H12FN3O3S/c11-18(16,17)9-3-10(15)14(6-9)2-1-8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyRNPNCPOCFZZLDX-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.08
Rot. Bonds4

About 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168714934) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168714934
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1cncnc1
InChIInChI=1S/C10H12FN3O3S/c11-18(16,17)9-3-10(15)14(6-9)2-1-8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyRNPNCPOCFZZLDX-UHFFFAOYSA-N
XLogP-0.08
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride (CID 168714934) is 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1cncnc1.
What is the InChIKey of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is RNPNCPOCFZZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c11-18(16,17)9-3-10(15)14(6-9)2-1-8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2.
What are the key properties of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 273.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).