2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone

C17H24N2O3S — CID 51943375

IUPAC2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O3S/c1-2-12-23(21,22)18-10-5-7-15(13-18)17(20)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
InChIKeyGIQPUXGCZJNFMI-HNNXBMFYSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone

2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone (PubChem CID 51943375) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
PubChem CID51943375
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H24N2O3S/c1-2-12-23(21,22)18-10-5-7-15(13-18)17(20)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
InChIKeyGIQPUXGCZJNFMI-HNNXBMFYSA-N
XLogP2.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
[(3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 40782946
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95118895
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55760672
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone (CID 51943375) is 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone is CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone?
The InChIKey is GIQPUXGCZJNFMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-2-12-23(21,22)18-10-5-7-15(13-18)17(20)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 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 51943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).