5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one

C20H26N2OS — CID 90937747

IUPAC5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one
SMILESCCC1(CC)Cc2ccc(CCC3CC3)cc2C12NC(=S)NC2=O
InChIInChI=1S/C20H26N2OS/c1-3-19(4-2)12-15-10-9-14(8-7-13-5-6-13)11-16(15)20(19)17(23)21-18(24)22-20/h9-11,13H,3-8,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKJKZWAHXGIZGKO-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.59
Rot. Bonds5

About 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one

5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one (PubChem CID 90937747) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one
PubChem CID90937747
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one
SMILESCCC1(CC)Cc2ccc(CCC3CC3)cc2C12NC(=S)NC2=O
InChIInChI=1S/C20H26N2OS/c1-3-19(4-2)12-15-10-9-14(8-7-13-5-6-13)11-16(15)20(19)17(23)21-18(24)22-20/h9-11,13H,3-8,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKJKZWAHXGIZGKO-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one?
The IUPAC name of 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one (CID 90937747) is 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one.
What is the SMILES notation for 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one?
The canonical SMILES for 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one is CCC1(CC)Cc2ccc(CCC3CC3)cc2C12NC(=S)NC2=O.
What is the InChIKey of 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one?
The InChIKey is KJKZWAHXGIZGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-19(4-2)12-15-10-9-14(8-7-13-5-6-13)11-16(15)20(19)17(23)21-18(24)22-20/h9-11,13H,3-8,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one?
5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one has a molecular weight of 342.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-2,2-diethyl-2'-sulfanylidenespiro[1H-indene-3,5'-imidazolidine]-4'-one is sourced from PubChem (CID 90937747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).