(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C16H18N2O5S — CID 11925743

IUPAC(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C16H18N2O5S/c19-13-9-24(22,23)8-12(13)18-14(20)16(17-15(18)21)7-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12-13,19H,3,5,7-9H2,(H,17,21)/t12-,13-,16+/m0/s1
InChIKeyRKVUONJYFVWMCG-HEHGZKQESA-N
MW350.40 g/mol
LogP-0.07
Rot. Bonds1

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

(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 11925743) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID11925743
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C16H18N2O5S/c19-13-9-24(22,23)8-12(13)18-14(20)16(17-15(18)21)7-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12-13,19H,3,5,7-9H2,(H,17,21)/t12-,13-,16+/m0/s1
InChIKeyRKVUONJYFVWMCG-HEHGZKQESA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 5-0.07
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

(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 11925778
(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
(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 94184393
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 11925838
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
CID 11925874
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 41103953
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
3'-[(1-hydroxycyclohexyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47556160
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (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) is (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is RKVUONJYFVWMCG-HEHGZKQESA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-13-9-24(22,23)8-12(13)18-14(20)16(17-15(18)21)7-3-5-10-4-1-2-6-11(10)16/h1-2,4,6,12-13,19H,3,5,7-9H2,(H,17,21)/t12-,13-,16+/m0/s1.
What are the key properties of (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 350.40 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11925743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).