1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C12H15FN2O3S2 — CID 168714943

IUPAC1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1nc2c(s1)CCC2
InChIInChI=1S/C12H15FN2O3S2/c13-20(17,18)8-6-12(16)15(7-8)5-4-11-14-9-2-1-3-10(9)19-11/h8H,1-7H2
InChIKeyAYVXKCZOQDWAGX-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.07
Rot. Bonds4

About 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714943) has the molecular formula C12H15FN2O3S2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714943
Molecular FormulaC12H15FN2O3S2
Molecular Weight318.40 g/mol
Exact Mass318.05
IUPAC Name1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1CCc1nc2c(s1)CCC2
InChIInChI=1S/C12H15FN2O3S2/c13-20(17,18)8-6-12(16)15(7-8)5-4-11-14-9-2-1-3-10(9)19-11/h8H,1-7H2
InChIKeyAYVXKCZOQDWAGX-UHFFFAOYSA-N
XLogP1.07
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714943) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1CCc1nc2c(s1)CCC2.
What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is AYVXKCZOQDWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S2/c13-20(17,18)8-6-12(16)15(7-8)5-4-11-14-9-2-1-3-10(9)19-11/h8H,1-7H2.
What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 318.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).