7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

C15H18N2O5S — CID 21162197

IUPAC7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCCOc1ccc2c(c1)S(=O)(=O)CCC21NC(=O)NC1=O
InChIInChI=1S/C15H18N2O5S/c1-2-3-7-22-10-4-5-11-12(9-10)23(20,21)8-6-15(11)13(18)16-14(19)17-15/h4-5,9H,2-3,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyLIENQPMWTKQUKG-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.08
Rot. Bonds4

About 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 21162197) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID21162197
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCCOc1ccc2c(c1)S(=O)(=O)CCC21NC(=O)NC1=O
InChIInChI=1S/C15H18N2O5S/c1-2-3-7-22-10-4-5-11-12(9-10)23(20,21)8-6-15(11)13(18)16-14(19)17-15/h4-5,9H,2-3,6-8H2,1H3,(H2,16,17,18,19)
InChIKeyLIENQPMWTKQUKG-UHFFFAOYSA-N
XLogP1.08
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572733
6-Methylsulfonylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 13953774
N-[(4-fluorophenyl)methyl]-2-(6-methoxy-1,1,2',5'-tetraoxospiro[2H-1-benzothiophene-3,4'-imidazolidine]-1'-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957867
(4R)-6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 25661526
(4S)-6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 25661527
6-Fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 42888553
5-[4-(Difluoromethoxy)phenyl]-3-[3-(4-fluorophenyl)sulfonylpropyl]-5-methylimidazolidine-2,4-dione
CID 56067028
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]acetamide
CID 56213178
3-[3-(Benzenesulfonyl)propyl]-5-methyl-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 56385172
3-[2-(Benzenesulfonyl)ethyl]-5-methyl-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 56385305
5-[(Ethylsulfanyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 246370
6-Methylsulfinylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 20450420

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 21162197) is 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is CCCCOc1ccc2c(c1)S(=O)(=O)CCC21NC(=O)NC1=O.
What is the InChIKey of 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is LIENQPMWTKQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-2-3-7-22-10-4-5-11-12(9-10)23(20,21)8-6-15(11)13(18)16-14(19)17-15/h4-5,9H,2-3,6-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 338.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 21162197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).