2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone

C21H21N3O3S — CID 9114212

IUPAC2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3O3S/c25-21(24-13-11-15-6-1-3-9-18(15)24)16-7-5-12-23(14-16)20-17-8-2-4-10-19(17)28(26,27)22-20/h1-4,6,8-10,16H,5,7,11-14H2/t16-/m0/s1
InChIKeyRNLZGZDYDHYFAZ-INIZCTEOSA-N
MW395.48 g/mol
LogP2.44
Rot. Bonds1

About 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone

2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone (PubChem CID 9114212) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone
PubChem CID9114212
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3O3S/c25-21(24-13-11-15-6-1-3-9-18(15)24)16-7-5-12-23(14-16)20-17-8-2-4-10-19(17)28(26,27)22-20/h1-4,6,8-10,16H,5,7,11-14H2/t16-/m0/s1
InChIKeyRNLZGZDYDHYFAZ-INIZCTEOSA-N
XLogP2.44
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 43013826
2-oxopropyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 55405004
2-methoxyethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 46544703
(4-acetylphenyl) (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 8646502
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 8646482
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 51216658
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007684
N-(5-chloro-2-pyridinyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43034610
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007682
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 55405268

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone (CID 9114212) is 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone is O=C([C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone?
The InChIKey is RNLZGZDYDHYFAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(24-13-11-15-6-1-3-9-18(15)24)16-7-5-12-23(14-16)20-17-8-2-4-10-19(17)28(26,27)22-20/h1-4,6,8-10,16H,5,7,11-14H2/t16-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 9114212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).