2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole

C19H20N2O3S2 — CID 51249614

IUPAC2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
SMILESCOc1ccccc1S(=O)(=O)N1CCCCC1c1nc2ccccc2s1
InChIInChI=1S/C19H20N2O3S2/c1-24-16-10-3-5-12-18(16)26(22,23)21-13-7-6-9-15(21)19-20-14-8-2-4-11-17(14)25-19/h2-5,8,10-12,15H,6-7,9,13H2,1H3
InChIKeyXVAYBVWJHSCTQX-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole

2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole (PubChem CID 51249614) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
PubChem CID51249614
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
SMILESCOc1ccccc1S(=O)(=O)N1CCCCC1c1nc2ccccc2s1
InChIInChI=1S/C19H20N2O3S2/c1-24-16-10-3-5-12-18(16)26(22,23)21-13-7-6-9-15(21)19-20-14-8-2-4-11-17(14)25-19/h2-5,8,10-12,15H,6-7,9,13H2,1H3
InChIKeyXVAYBVWJHSCTQX-UHFFFAOYSA-N
XLogP4.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 55435590
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 3825006
2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 18270059
5-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 24511540
2-[(2S)-1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 40746757
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 125001964
2-[(2R)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 40819293
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 40875998
methyl 1-(2-methoxyphenyl)sulfonylpiperidine-2-carboxylate
CID 115279294
5-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8799091
5-[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 31791927

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole (CID 51249614) is 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole is COc1ccccc1S(=O)(=O)N1CCCCC1c1nc2ccccc2s1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole?
The InChIKey is XVAYBVWJHSCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-24-16-10-3-5-12-18(16)26(22,23)21-13-7-6-9-15(21)19-20-14-8-2-4-11-17(14)25-19/h2-5,8,10-12,15H,6-7,9,13H2,1H3.
What are the key properties of 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole?
2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole has a molecular weight of 388.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 51249614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).