1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H22N2O3S — CID 3597234

IUPAC1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3C)ccc21
InChIInChI=1S/C16H22N2O3S/c1-12-5-3-4-9-18(12)22(20,21)15-6-7-16-14(11-15)8-10-17(16)13(2)19/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyKDUIOQHLVPASBN-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.16
Rot. Bonds2

About 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 3597234) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID3597234
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3C)ccc21
InChIInChI=1S/C16H22N2O3S/c1-12-5-3-4-9-18(12)22(20,21)15-6-7-16-14(11-15)8-10-17(16)13(2)19/h6-7,11-12H,3-5,8-10H2,1-2H3
InChIKeyKDUIOQHLVPASBN-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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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
2-(2,3-dihydroindol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2817021
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687
1-acetyl-N-(4-methylphenyl)indoline-5-sulfonamide
CID 2986661
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
N-(2-cyanoethyl)-N-methyl-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526473

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 3597234) is 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3C)ccc21.
What is the InChIKey of 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KDUIOQHLVPASBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-5-3-4-9-18(12)22(20,21)15-6-7-16-14(11-15)8-10-17(16)13(2)19/h6-7,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-methylpiperidin-1-yl)sulfonyl-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-[5-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 3597234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).