2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone

C20H27N3O3S — CID 127477504

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H27N3O3S/c1-22(16-9-11-27(25,26)14-16)13-20(24)23-10-5-4-8-19(23)18-12-15-6-2-3-7-17(15)21-18/h2-3,6-7,12,16,19,21H,4-5,8-11,13-14H2,1H3
InChIKeyGHSSUALSODHDCS-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.34
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone (PubChem CID 127477504) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
PubChem CID127477504
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H27N3O3S/c1-22(16-9-11-27(25,26)14-16)13-20(24)23-10-5-4-8-19(23)18-12-15-6-2-3-7-17(15)21-18/h2-3,6-7,12,16,19,21H,4-5,8-11,13-14H2,1H3
InChIKeyGHSSUALSODHDCS-UHFFFAOYSA-N
XLogP2.34
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-phenylazetidin-1-yl]ethanone
CID 94468019
1-(1,1-dioxothiolan-3-yl)-4-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 146086918
2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214877
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397674
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 94397675
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone (CID 127477504) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCCCC1c1cc2ccccc2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GHSSUALSODHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(16-9-11-27(25,26)14-16)13-20(24)23-10-5-4-8-19(23)18-12-15-6-2-3-7-17(15)21-18/h2-3,6-7,12,16,19,21H,4-5,8-11,13-14H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 389.52 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 127477504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).