1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

C16H22N2O3S — CID 3673453

IUPAC1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C
InChIInChI=1S/C16H22N2O3S/c1-12-10-14-11-15(6-7-16(14)18(12)13(2)19)22(20,21)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyPLIYEUYNFJGAOG-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.16
Rot. Bonds2

About 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3673453) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3673453
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C
InChIInChI=1S/C16H22N2O3S/c1-12-10-14-11-15(6-7-16(14)18(12)13(2)19)22(20,21)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyPLIYEUYNFJGAOG-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone (CID 3673453) is 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C.
What is the InChIKey of 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is PLIYEUYNFJGAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-10-14-11-15(6-7-16(14)18(12)13(2)19)22(20,21)17-8-4-3-5-9-17/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone?
1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 322.43 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3673453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).