(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H16N2O3S — CID 30668854

IUPAC(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@@]2(CCSC2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C14H16N2O3S/c17-12-14(6-9-20-10-14)15-13(18)16(12)7-8-19-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)/t14-/m1/s1
InChIKeyFKAJVVBIRJTZJX-CQSZACIVSA-N
MW292.36 g/mol
LogP1.49
Rot. Bonds4

About (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 30668854) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID30668854
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@@]2(CCSC2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C14H16N2O3S/c17-12-14(6-9-20-10-14)15-13(18)16(12)7-8-19-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)/t14-/m1/s1
InChIKeyFKAJVVBIRJTZJX-CQSZACIVSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
4-[2-[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]ethoxy]benzonitrile
CID 2548392
methyl 4-[2-[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]ethoxy]benzoate
CID 51964989
(5R)-3-[(2R)-2-hydroxy-3-phenoxypropyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31574475
(5R)-3-(2-methoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35422277
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27396914
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 30668854) is (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@@]2(CCSC2)C(=O)N1CCOc1ccccc1.
What is the InChIKey of (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FKAJVVBIRJTZJX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-12-14(6-9-20-10-14)15-13(18)16(12)7-8-19-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)/t14-/m1/s1.
What are the key properties of (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 292.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 30668854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).