N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

C15H19FN2O4S — CID 51083431

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O4S/c16-12-3-1-11(2-4-12)14-9-18(6-7-22-14)15(19)17-13-5-8-23(20,21)10-13/h1-4,13-14H,5-10H2,(H,17,19)
InChIKeyYTCCEGFJAROYSH-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.10
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 51083431) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID51083431
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O4S/c16-12-3-1-11(2-4-12)14-9-18(6-7-22-14)15(19)17-13-5-8-23(20,21)10-13/h1-4,13-14H,5-10H2,(H,17,19)
InChIKeyYTCCEGFJAROYSH-UHFFFAOYSA-N
XLogP1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide (CID 51083431) is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is YTCCEGFJAROYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-3-1-11(2-4-12)14-9-18(6-7-22-14)15(19)17-13-5-8-23(20,21)10-13/h1-4,13-14H,5-10H2,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 51083431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).