[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C17H24N2O3S — CID 95118895

IUPAC[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C1
InChIInChI=1S/C17H24N2O3S/c1-3-23(21,22)18-10-6-8-15(12-18)17(20)19-13(2)11-14-7-4-5-9-16(14)19/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyDHBCPXONYPSQFP-DZGCQCFKSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds3

About [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 95118895) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID95118895
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C1
InChIInChI=1S/C17H24N2O3S/c1-3-23(21,22)18-10-6-8-15(12-18)17(20)19-13(2)11-14-7-4-5-9-16(14)19/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyDHBCPXONYPSQFP-DZGCQCFKSA-N
XLogP2.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133163538
[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 125049746
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112811889
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 30389903
2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(3R)-N-benzyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688098
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]methanone
CID 50760378
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 95118895) is [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is CCS(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C1.
What is the InChIKey of [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is DHBCPXONYPSQFP-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-3-23(21,22)18-10-6-8-15(12-18)17(20)19-13(2)11-14-7-4-5-9-16(14)19/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylsulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 95118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).