2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride

C12H15ClN2OS2 — CID 71645990

IUPAC2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
SMILESCl.O=S(c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C12H14N2OS2.ClH/c15-17(9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)16-12;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKeyBVNGPEFLWWQINH-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.58
Rot. Bonds2

About 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride

2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride (PubChem CID 71645990) has the molecular formula C12H15ClN2OS2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
PubChem CID71645990
Molecular FormulaC12H15ClN2OS2
Molecular Weight302.85 g/mol
Exact Mass302.03
IUPAC Name2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
SMILESCl.O=S(c1nc2ccccc2s1)C1CCCNC1
InChIInChI=1S/C12H14N2OS2.ClH/c15-17(9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)16-12;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKeyBVNGPEFLWWQINH-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-benzothiazole;hydrochloride
CID 71645444
2-pyrrolidin-3-ylsulfinyl-1,3-benzothiazole
CID 71646013
2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97165838
2-cyclohexylsulfinyl-1,3-benzothiazole
CID 20524678
5-nitro-2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97178071
2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166415
5-nitro-2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole;hydrochloride
CID 170987769
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]quinoxaline
CID 97166109
2-piperidin-3-ylsulfinyl-1,3-benzoxazole
CID 71645989
2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]-1,3-benzoxazole
CID 97166130
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride (CID 71645990) is 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride is Cl.O=S(c1nc2ccccc2s1)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride?
The InChIKey is BVNGPEFLWWQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2.ClH/c15-17(9-4-3-7-13-8-9)12-14-10-5-1-2-6-11(10)16-12;/h1-2,5-6,9,13H,3-4,7-8H2;1H.
What are the key properties of 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride?
2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 71645990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).