[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C15H18FNO6S — CID 2998069

IUPAC[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18FNO6S/c1-17(11-6-7-24(20,21)10-11)14(18)8-23-15(19)9-22-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3
InChIKeyDPKHCINCWKGVDW-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.39
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 2998069) has the molecular formula C15H18FNO6S and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID2998069
Molecular FormulaC15H18FNO6S
Molecular Weight359.38 g/mol
Exact Mass359.08
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18FNO6S/c1-17(11-6-7-24(20,21)10-11)14(18)8-23-15(19)9-22-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3
InChIKeyDPKHCINCWKGVDW-UHFFFAOYSA-N
XLogP0.39
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 2998069) is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is CN(C(=O)COC(=O)COc1ccccc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is DPKHCINCWKGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO6S/c1-17(11-6-7-24(20,21)10-11)14(18)8-23-15(19)9-22-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 359.38 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 2998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).