2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one

C11H10N2O2S — CID 107150443

IUPAC2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
SMILESO=C1NC(=S)NC12COCc1ccccc12
InChIInChI=1S/C11H10N2O2S/c14-9-11(13-10(16)12-9)6-15-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,16)
InChIKeyZNUKOJRXXFGKKZ-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.42
Rot. Bonds

About 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one

2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one (PubChem CID 107150443) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
PubChem CID107150443
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
SMILESO=C1NC(=S)NC12COCc1ccccc12
InChIInChI=1S/C11H10N2O2S/c14-9-11(13-10(16)12-9)6-15-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,16)
InChIKeyZNUKOJRXXFGKKZ-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703807
2'-(2-methoxyethylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703808
2-(2',5'-dioxospiro[1,3-dihydroisochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 107150042
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
CID 107150400
4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
CID 107150090
CID 58197589
CID 58197589
4-isocyanato-1,3-dihydroisochromene-4-carbonitrile
CID 107150442
N-benzyl-N-methyl-2-(4-methyl-1,3-dihydroisochromen-4-yl)ethanamine
CID 12706487
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
spiro[1,3-dihydroisochromene-4,3'-oxirane]-2'-carbonitrile
CID 21437901
4-[acetyl(methyl)amino]-1,3-dihydroisochromene-4-carboxylic acid
CID 107149881
4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
CID 107150454

Frequently Asked Questions

What is the IUPAC name of 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The IUPAC name of 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one (CID 107150443) is 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one.
What is the SMILES notation for 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The canonical SMILES for 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one is O=C1NC(=S)NC12COCc1ccccc12.
What is the InChIKey of 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
The InChIKey is ZNUKOJRXXFGKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-9-11(13-10(16)12-9)6-15-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,16).
What are the key properties of 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one?
2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one has a molecular weight of 234.28 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 107150443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).