[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C24H27N3O3S2 — CID 46698817

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H27N3O3S2/c28-24(21-11-6-7-15-27(21)32(29,30)19-8-2-1-3-9-19)26-16-13-18(14-17-26)23-25-20-10-4-5-12-22(20)31-23/h1-5,8-10,12,18,21H,6-7,11,13-17H2
InChIKeyJQMUCAYLWMWUHU-UHFFFAOYSA-N
MW469.63 g/mol
LogP4.25
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 46698817) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID46698817
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H27N3O3S2/c28-24(21-11-6-7-15-27(21)32(29,30)19-8-2-1-3-9-19)26-16-13-18(14-17-26)23-25-20-10-4-5-12-22(20)31-23/h1-5,8-10,12,18,21H,6-7,11,13-17H2
InChIKeyJQMUCAYLWMWUHU-UHFFFAOYSA-N
XLogP4.25
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27782516
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone
CID 16857521
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 23853309
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26013824
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
1,3-benzothiazol-2-ylmethyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate
CID 40618126
(3-aminocyclohexyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 119830387
2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1436870
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 41273997
(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 46698817) is [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JQMUCAYLWMWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c28-24(21-11-6-7-15-27(21)32(29,30)19-8-2-1-3-9-19)26-16-13-18(14-17-26)23-25-20-10-4-5-12-22(20)31-23/h1-5,8-10,12,18,21H,6-7,11,13-17H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 469.63 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46698817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).