2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide

C19H28N2O3S — CID 131646499

IUPAC2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccccc12
InChIInChI=1S/C19H28N2O3S/c1-4-25(23,24)21-11-9-19(10-12-21)14-15(13-18(22)20(2)3)16-7-5-6-8-17(16)19/h5-8,15H,4,9-14H2,1-3H3
InChIKeyYPNAHLHFYRZUGD-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.34
Rot. Bonds4

About 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide

2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (PubChem CID 131646499) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
PubChem CID131646499
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
SMILESCCS(=O)(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccccc12
InChIInChI=1S/C19H28N2O3S/c1-4-25(23,24)21-11-9-19(10-12-21)14-15(13-18(22)20(2)3)16-7-5-6-8-17(16)19/h5-8,15H,4,9-14H2,1-3H3
InChIKeyYPNAHLHFYRZUGD-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 131651770
N,N-dimethyl-2-[(1S)-1'-pyrimidin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97452698
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
2-[1'-(2-cyclopentylacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131655151
2-[1'-(cyclohexanecarbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 131646569
N-methyl-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131658314
N,N-dimethyl-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375833
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155848462
2-[(1R)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 97375836
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
1-(4-methylpiperazin-1-yl)-2-[1'-(2-methylpropylsulfonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661558

Frequently Asked Questions

What is the IUPAC name of 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide (CID 131646499) is 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide is CCS(=O)(=O)N1CCC2(CC1)CC(CC(=O)N(C)C)c1ccccc12.
What is the InChIKey of 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
The InChIKey is YPNAHLHFYRZUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-4-25(23,24)21-11-9-19(10-12-21)14-15(13-18(22)20(2)3)16-7-5-6-8-17(16)19/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide?
2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide has a molecular weight of 364.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 131646499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).