5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride

C8H9FN2O3S2 — CID 168715091

IUPAC5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cncs1
InChIInChI=1S/C8H9FN2O3S2/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2
InChIKeyRWQIRHWGJKYDLE-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.54
Rot. Bonds3

About 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715091) has the molecular formula C8H9FN2O3S2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715091
Molecular FormulaC8H9FN2O3S2
Molecular Weight264.30 g/mol
Exact Mass264.00
IUPAC Name5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cncs1
InChIInChI=1S/C8H9FN2O3S2/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2
InChIKeyRWQIRHWGJKYDLE-UHFFFAOYSA-N
XLogP0.54
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride (CID 168715091) is 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1cncs1.
What is the InChIKey of 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is RWQIRHWGJKYDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S2/c9-16(13,14)7-1-8(12)11(4-7)3-6-2-10-5-15-6/h2,5,7H,1,3-4H2.
What are the key properties of 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 264.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).