1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone

C17H24N2O4S — CID 97343625

IUPAC1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O4S/c1-2-23-13-17(20)18-10-5-7-15(12-18)24(21,22)19-11-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3/t15-/m0/s1
InChIKeyXDLNOSGSXSBJMP-HNNXBMFYSA-N
MW352.46 g/mol
LogP1.41
Rot. Bonds5

About 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone

1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone (PubChem CID 97343625) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
PubChem CID97343625
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O4S/c1-2-23-13-17(20)18-10-5-7-15(12-18)24(21,22)19-11-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3/t15-/m0/s1
InChIKeyXDLNOSGSXSBJMP-HNNXBMFYSA-N
XLogP1.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone (CID 97343625) is 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone?
The InChIKey is XDLNOSGSXSBJMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-23-13-17(20)18-10-5-7-15(12-18)24(21,22)19-11-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone?
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone has a molecular weight of 352.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 97343625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).