1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone

C17H22N2O3S — CID 11256117

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone
SMILESCC(=O)N1CCN(C(=O)CS(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C17H22N2O3S/c1-13(20)18-8-10-19(11-9-18)17(21)12-23(22)16-7-6-14-4-2-3-5-15(14)16/h2-5,16H,6-12H2,1H3
InChIKeyYHIIPYSMVMOWSU-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone (PubChem CID 11256117) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone
PubChem CID11256117
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone
SMILESCC(=O)N1CCN(C(=O)CS(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C17H22N2O3S/c1-13(20)18-8-10-19(11-9-18)17(21)12-23(22)16-7-6-14-4-2-3-5-15(14)16/h2-5,16H,6-12H2,1H3
InChIKeyYHIIPYSMVMOWSU-UHFFFAOYSA-N
XLogP1.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone (CID 11256117) is 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone is CC(=O)N1CCN(C(=O)CS(=O)C2CCc3ccccc32)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone?
The InChIKey is YHIIPYSMVMOWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13(20)18-8-10-19(11-9-18)17(21)12-23(22)16-7-6-14-4-2-3-5-15(14)16/h2-5,16H,6-12H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone has a molecular weight of 334.44 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2,3-dihydro-1H-inden-1-ylsulfinyl)ethanone is sourced from PubChem (CID 11256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).