1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone

C16H21NO2S — CID 56914770

IUPAC1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C16H21NO2S/c1-20-11-15(19)17-8-6-16(7-9-17)13-5-3-2-4-12(13)10-14(16)18/h2-5,14,18H,6-11H2,1H3
InChIKeyPPYYBMOHZBFHGZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone

1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone (PubChem CID 56914770) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone
PubChem CID56914770
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C16H21NO2S/c1-20-11-15(19)17-8-6-16(7-9-17)13-5-3-2-4-12(13)10-14(16)18/h2-5,14,18H,6-11H2,1H3
InChIKeyPPYYBMOHZBFHGZ-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone (CID 56914770) is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone is CSCC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone?
The InChIKey is PPYYBMOHZBFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-20-11-15(19)17-8-6-16(7-9-17)13-5-3-2-4-12(13)10-14(16)18/h2-5,14,18H,6-11H2,1H3.
What are the key properties of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone?
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone has a molecular weight of 291.42 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 56914770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).