1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

C15H20N2O3S — CID 4877947

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-16(13-7-9-21(19,20)11-13)10-15(18)17-8-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3
InChIKeyNUCMTUBIMQUGAI-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.69
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (PubChem CID 4877947) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
PubChem CID4877947
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O3S/c1-16(13-7-9-21(19,20)11-13)10-15(18)17-8-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3
InChIKeyNUCMTUBIMQUGAI-UHFFFAOYSA-N
XLogP0.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (CID 4877947) is 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is CN(CC(=O)N1CCc2ccccc21)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The InChIKey is NUCMTUBIMQUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-16(13-7-9-21(19,20)11-13)10-15(18)17-8-6-12-4-2-3-5-14(12)17/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone has a molecular weight of 308.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is sourced from PubChem (CID 4877947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).