1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole

C18H21N3O2S — CID 91650455

IUPAC1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(C1CCCN(c2ccccn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,21-13-10-15-6-1-2-8-17(15)21)16-7-5-12-20(14-16)18-9-3-4-11-19-18/h1-4,6,8-9,11,16H,5,7,10,12-14H2
InChIKeyGSJVKFKEFPVBHH-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.44
Rot. Bonds3

About 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole

1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole (PubChem CID 91650455) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
PubChem CID91650455
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(C1CCCN(c2ccccn2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2S/c22-24(23,21-13-10-15-6-1-2-8-17(15)21)16-7-5-12-20(14-16)18-9-3-4-11-19-18/h1-4,6,8-9,11,16H,5,7,10,12-14H2
InChIKeyGSJVKFKEFPVBHH-UHFFFAOYSA-N
XLogP2.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
CID 133455687
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730
1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole
CID 133455723
[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 75474114
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75474277

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole (CID 91650455) is 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole is O=S(=O)(C1CCCN(c2ccccn2)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole?
The InChIKey is GSJVKFKEFPVBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,21-13-10-15-6-1-2-8-17(15)21)16-7-5-12-20(14-16)18-9-3-4-11-19-18/h1-4,6,8-9,11,16H,5,7,10,12-14H2.
What are the key properties of 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole?
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole has a molecular weight of 343.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 91650455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).