2-piperidin-3-ylsulfonyl-1,3-benzothiazole

C12H14N2O2S2 — CID 71645533

IUPAC2-piperidin-3-ylsulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C12H14N2O2S2/c15-18(16,9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)17-12/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyHSXPUBQBSNABJD-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.82
Rot. Bonds2

About 2-piperidin-3-ylsulfonyl-1,3-benzothiazole

2-piperidin-3-ylsulfonyl-1,3-benzothiazole (PubChem CID 71645533) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-piperidin-3-ylsulfonyl-1,3-benzothiazole
PubChem CID71645533
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name2-piperidin-3-ylsulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C12H14N2O2S2/c15-18(16,9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)17-12/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyHSXPUBQBSNABJD-UHFFFAOYSA-N
XLogP1.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
4-(1,3-benzothiazol-2-ylsulfonyl)piperidine-1-carboxylic acid
CID 69184230
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
CID 170903786
2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
CID 71645864
3-(benzenesulfonyl)piperidine;ethane
CID 142376077
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
CID 71645990
2-(cyclopropylmethylsulfonyl)-1,3-benzothiazole
CID 18697962
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfonyl-1,3-benzothiazole?
The IUPAC name of 2-piperidin-3-ylsulfonyl-1,3-benzothiazole (CID 71645533) is 2-piperidin-3-ylsulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-piperidin-3-ylsulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-piperidin-3-ylsulfonyl-1,3-benzothiazole is O=S(=O)(c1nc2ccccc2s1)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfonyl-1,3-benzothiazole?
The InChIKey is HSXPUBQBSNABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c15-18(16,9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)17-12/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 2-piperidin-3-ylsulfonyl-1,3-benzothiazole?
2-piperidin-3-ylsulfonyl-1,3-benzothiazole has a molecular weight of 282.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfonyl-1,3-benzothiazole is sourced from PubChem (CID 71645533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).