8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one

C11H11ClN2O3S — CID 20575270

IUPAC8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one
SMILESO=C1NCNC12CCS(=O)(=O)c1c(Cl)cccc12
InChIInChI=1S/C11H11ClN2O3S/c12-8-3-1-2-7-9(8)18(16,17)5-4-11(7)10(15)13-6-14-11/h1-3,14H,4-6H2,(H,13,15)
InChIKeyDFDKBMHWPYRJMG-UHFFFAOYSA-N
MW286.74 g/mol
LogP0.39
Rot. Bonds

About 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one

8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one (PubChem CID 20575270) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one
PubChem CID20575270
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one
SMILESO=C1NCNC12CCS(=O)(=O)c1c(Cl)cccc12
InChIInChI=1S/C11H11ClN2O3S/c12-8-3-1-2-7-9(8)18(16,17)5-4-11(7)10(15)13-6-14-11/h1-3,14H,4-6H2,(H,13,15)
InChIKeyDFDKBMHWPYRJMG-UHFFFAOYSA-N
XLogP0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one (CID 20575270) is 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one is O=C1NCNC12CCS(=O)(=O)c1c(Cl)cccc12.
What is the InChIKey of 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is DFDKBMHWPYRJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-8-3-1-2-7-9(8)18(16,17)5-4-11(7)10(15)13-6-14-11/h1-3,14H,4-6H2,(H,13,15).
What are the key properties of 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one?
8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 286.74 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 20575270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).