(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid

C14H18FN2O6S+ — CID 90913539

IUPAC(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid
SMILESC[C@H]1OC(=O)[N+](F)(S(=O)(=O)O)C1c1ccccc1N1CCOCC1
InChIInChI=1S/C14H17FN2O6S/c1-10-13(17(15,14(18)23-10)24(19,20)21)11-4-2-3-5-12(11)16-6-8-22-9-7-16/h2-5,10,13H,6-9H2,1H3/p+1/t10-,13?,17?/m1/s1
InChIKeyREBYLRRRPVWJLC-OPFFKBQKSA-O
MW361.37 g/mol
LogP1.61
Rot. Bonds3

About (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid

(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid (PubChem CID 90913539) has the molecular formula C14H18FN2O6S+ and a molecular weight of 361.37 g/mol. Its IUPAC name is (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid.

Molecular Properties

Compound Name(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid
PubChem CID90913539
Molecular FormulaC14H18FN2O6S+
Molecular Weight361.37 g/mol
Exact Mass361.09
IUPAC Name(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid
SMILESC[C@H]1OC(=O)[N+](F)(S(=O)(=O)O)C1c1ccccc1N1CCOCC1
InChIInChI=1S/C14H17FN2O6S/c1-10-13(17(15,14(18)23-10)24(19,20)21)11-4-2-3-5-12(11)16-6-8-22-9-7-16/h2-5,10,13H,6-9H2,1H3/p+1/t10-,13?,17?/m1/s1
InChIKeyREBYLRRRPVWJLC-OPFFKBQKSA-O
XLogP1.61
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid with MolForge

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Related Compounds

(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide
CID 90729550
1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 175807938
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617
2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione
CID 67812607
3-morpholin-4-ylpyran-2-one
CID 159182014
4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)morpholine
CID 66875825
4-(2-methylsulfinylphenyl)morpholine
CID 173235421
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240

Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid?
The IUPAC name of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid (CID 90913539) is (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid.
What is the SMILES notation for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid?
The canonical SMILES for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid is C[C@H]1OC(=O)[N+](F)(S(=O)(=O)O)C1c1ccccc1N1CCOCC1.
What is the InChIKey of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid?
The InChIKey is REBYLRRRPVWJLC-OPFFKBQKSA-O. The full InChI is InChI=1S/C14H17FN2O6S/c1-10-13(17(15,14(18)23-10)24(19,20)21)11-4-2-3-5-12(11)16-6-8-22-9-7-16/h2-5,10,13H,6-9H2,1H3/p+1/t10-,13?,17?/m1/s1.
What are the key properties of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid?
(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid has a molecular weight of 361.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid is sourced from PubChem (CID 90913539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).