2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole

C20H21N3O2S2 — CID 133455687

IUPAC2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(C1CCCN(c2nc3ccccc3s2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H21N3O2S2/c24-27(25,23-13-11-15-6-1-3-9-18(15)23)16-7-5-12-22(14-16)20-21-17-8-2-4-10-19(17)26-20/h1-4,6,8-10,16H,5,7,11-14H2
InChIKeyHUERALQTMWMDEP-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.66
Rot. Bonds3

About 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole

2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 133455687) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
PubChem CID133455687
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(C1CCCN(c2nc3ccccc3s2)C1)N1CCc2ccccc21
InChIInChI=1S/C20H21N3O2S2/c24-27(25,23-13-11-15-6-1-3-9-18(15)23)16-7-5-12-22(14-16)20-21-17-8-2-4-10-19(17)26-20/h1-4,6,8-10,16H,5,7,11-14H2
InChIKeyHUERALQTMWMDEP-UHFFFAOYSA-N
XLogP3.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
1-[1-(2,4-dinitrophenyl)piperidin-3-yl]sulfonyl-2,3-dihydroindole
CID 133455723
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole (CID 133455687) is 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole is O=S(=O)(C1CCCN(c2nc3ccccc3s2)C1)N1CCc2ccccc21.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is HUERALQTMWMDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c24-27(25,23-13-11-15-6-1-3-9-18(15)23)16-7-5-12-22(14-16)20-21-17-8-2-4-10-19(17)26-20/h1-4,6,8-10,16H,5,7,11-14H2.
What are the key properties of 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole?
2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 399.54 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 133455687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).