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

C15H20N2O4S — CID 97343708

IUPAC1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C15H20N2O4S/c18-11-15(19)16-8-3-5-13(10-16)22(20,21)17-9-7-12-4-1-2-6-14(12)17/h1-2,4,6,13,18H,3,5,7-11H2/t13-/m0/s1
InChIKeyJRNYWUWAEAXGQG-ZDUSSCGKSA-N
MW324.40 g/mol
LogP0.36
Rot. Bonds3

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

1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 97343708) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID97343708
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C15H20N2O4S/c18-11-15(19)16-8-3-5-13(10-16)22(20,21)17-9-7-12-4-1-2-6-14(12)17/h1-2,4,6,13,18H,3,5,7-11H2/t13-/m0/s1
InChIKeyJRNYWUWAEAXGQG-ZDUSSCGKSA-N
XLogP0.36
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
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-hydroxyethanone?
The IUPAC name of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone (CID 97343708) is 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone is O=C(CO)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-hydroxyethanone?
The InChIKey is JRNYWUWAEAXGQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-11-15(19)16-8-3-5-13(10-16)22(20,21)17-9-7-12-4-1-2-6-14(12)17/h1-2,4,6,13,18H,3,5,7-11H2/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone?
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 324.40 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 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-hydroxyethanone is sourced from PubChem (CID 97343708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).