(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H18N2O4S — CID 31574475

IUPAC(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C15H18N2O4S/c18-11(9-21-12-4-2-1-3-5-12)8-17-13(19)15(16-14(17)20)6-7-22-10-15/h1-5,11,18H,6-10H2,(H,16,20)/t11-,15+/m1/s1
InChIKeyIXUYFPKIRPFBRI-ABAIWWIYSA-N
MW322.39 g/mol
LogP0.85
Rot. Bonds5

About (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 31574475) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID31574475
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C15H18N2O4S/c18-11(9-21-12-4-2-1-3-5-12)8-17-13(19)15(16-14(17)20)6-7-22-10-15/h1-5,11,18H,6-10H2,(H,16,20)/t11-,15+/m1/s1
InChIKeyIXUYFPKIRPFBRI-ABAIWWIYSA-N
XLogP0.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-3-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]-2-hydroxypropoxy]benzonitrile
CID 31574507
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
3'-[2-hydroxy-3-(4-phenylphenoxy)propyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112796191
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389630
3'-(2-hydroxy-3-phenoxypropyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17446580
(5R)-2-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 94799111
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 31574475) is (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@]2(CCSC2)C(=O)N1C[C@@H](O)COc1ccccc1.
What is the InChIKey of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IXUYFPKIRPFBRI-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-11(9-21-12-4-2-1-3-5-12)8-17-13(19)15(16-14(17)20)6-7-22-10-15/h1-5,11,18H,6-10H2,(H,16,20)/t11-,15+/m1/s1.
What are the key properties of (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 322.39 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 31574475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).