1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole

C11H14N4O3S — CID 2440031

IUPAC1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1ccc2nnn(O)c2c1)N1CCCCC1
InChIInChI=1S/C11H14N4O3S/c16-15-11-8-9(4-5-10(11)12-13-15)19(17,18)14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2
InChIKeySZUMYZPHCJEKMI-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.84
Rot. Bonds2

About 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole

1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole (PubChem CID 2440031) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole.

Molecular Properties

Compound Name1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole
PubChem CID2440031
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1ccc2nnn(O)c2c1)N1CCCCC1
InChIInChI=1S/C11H14N4O3S/c16-15-11-8-9(4-5-10(11)12-13-15)19(17,18)14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2
InChIKeySZUMYZPHCJEKMI-UHFFFAOYSA-N
XLogP0.84
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole?
The IUPAC name of 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole (CID 2440031) is 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole.
What is the SMILES notation for 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole?
The canonical SMILES for 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole is O=S(=O)(c1ccc2nnn(O)c2c1)N1CCCCC1.
What is the InChIKey of 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole?
The InChIKey is SZUMYZPHCJEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c16-15-11-8-9(4-5-10(11)12-13-15)19(17,18)14-6-2-1-3-7-14/h4-5,8,16H,1-3,6-7H2.
What are the key properties of 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole?
1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole has a molecular weight of 282.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-piperidin-1-ylsulfonylbenzotriazole is sourced from PubChem (CID 2440031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).