(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C15H16N2O5S — CID 11925778

IUPAC(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C15H16N2O5S/c18-12-8-23(21,22)7-11(12)17-13(19)15(16-14(17)20)6-5-9-3-1-2-4-10(9)15/h1-4,11-12,18H,5-8H2,(H,16,20)/t11-,12-,15-/m0/s1
InChIKeyHULSRRONWOGHAW-HUBLWGQQSA-N
MW336.37 g/mol
LogP-0.46
Rot. Bonds1

About (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 11925778) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID11925778
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C15H16N2O5S/c18-12-8-23(21,22)7-11(12)17-13(19)15(16-14(17)20)6-5-9-3-1-2-4-10(9)15/h1-4,11-12,18H,5-8H2,(H,16,20)/t11-,12-,15-/m0/s1
InChIKeyHULSRRONWOGHAW-HUBLWGQQSA-N
XLogP-0.46
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.46
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

(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 11925743
(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 11925906
(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 11925838
(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
CID 11925874
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
3'-[(1-hydroxycyclohexyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47556160
3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 94184393
3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 84601499
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 41119092
(3S,4S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dioxothiolan-3-ol
CID 98754195
(3S)-3'-[(4-tert-butylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40857295

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 11925778) is (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is HULSRRONWOGHAW-HUBLWGQQSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-12-8-23(21,22)7-11(12)17-13(19)15(16-14(17)20)6-5-9-3-1-2-4-10(9)15/h1-4,11-12,18H,5-8H2,(H,16,20)/t11-,12-,15-/m0/s1.
What are the key properties of (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 336.37 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11925778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).