(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C16H18FNO4S — CID 94799111

IUPAC(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c17-11-1-3-13(4-2-11)22-9-12(19)8-18-14(20)7-16(15(18)21)5-6-23-10-16/h1-4,12,19H,5-10H2/t12-,16-/m1/s1
InChIKeyLGVQEIANXDGBIA-MLGOLLRUSA-N
MW339.39 g/mol
LogP1.45
Rot. Bonds5

About (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 94799111) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID94799111
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c17-11-1-3-13(4-2-11)22-9-12(19)8-18-14(20)7-16(15(18)21)5-6-23-10-16/h1-4,12,19H,5-10H2/t12-,16-/m1/s1
InChIKeyLGVQEIANXDGBIA-MLGOLLRUSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione with MolForge

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Related Compounds

(5S)-2-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94802700
(5S)-2-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 95345247
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087083
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475
2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087088
4-[(2R)-3-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]-2-hydroxypropoxy]benzonitrile
CID 31574507
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31576115
(3aR,7aS)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98130405
(3aR,7aR)-2-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124742317
2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579986

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 94799111) is (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1C[C@@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccc(F)cc1.
What is the InChIKey of (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is LGVQEIANXDGBIA-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H18FNO4S/c17-11-1-3-13(4-2-11)22-9-12(19)8-18-14(20)7-16(15(18)21)5-6-23-10-16/h1-4,12,19H,5-10H2/t12-,16-/m1/s1.
What are the key properties of (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 339.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 94799111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).