(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione

C15H20N2O2S — CID 97339208

IUPAC(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(C[C@@H](C)Sc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-10(2)13-14(18)17(15(19)16-13)9-11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyPAQQELIEPUPAQT-YPMHNXCESA-N
MW292.40 g/mol
LogP2.74
Rot. Bonds5

About (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 97339208) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID97339208
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(C[C@@H](C)Sc2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2S/c1-10(2)13-14(18)17(15(19)16-13)9-11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,19)/t11-,13+/m1/s1
InChIKeyPAQQELIEPUPAQT-YPMHNXCESA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
CID 86783072
(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 99781661
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906777
(5S)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 51981221
1-(2-phenylsulfanylethyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 79205747
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 97339208) is (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(C[C@@H](C)Sc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is PAQQELIEPUPAQT-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)13-14(18)17(15(19)16-13)9-11(3)20-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,19)/t11-,13+/m1/s1.
What are the key properties of (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 292.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2R)-2-phenylsulfanylpropyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 97339208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).