N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide

C12H15N3O2S2 — CID 71645908

IUPACN-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-7-13-8-6-9)12-14-10-3-1-2-4-11(10)18-12/h1-4,9,13,15H,5-8H2
InChIKeyBSIGOFZFJMTZOG-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.33
Rot. Bonds3

About N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide

N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide (PubChem CID 71645908) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
PubChem CID71645908
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-7-13-8-6-9)12-14-10-3-1-2-4-11(10)18-12/h1-4,9,13,15H,5-8H2
InChIKeyBSIGOFZFJMTZOG-UHFFFAOYSA-N
XLogP1.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide (CID 71645908) is N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide is O=S(=O)(NC1CCNCC1)c1nc2ccccc2s1.
What is the InChIKey of N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide?
The InChIKey is BSIGOFZFJMTZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c16-19(17,15-9-5-7-13-8-6-9)12-14-10-3-1-2-4-11(10)18-12/h1-4,9,13,15H,5-8H2.
What are the key properties of N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide?
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 71645908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).