4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid

C11H15BrN4O4S — CID 66820064

IUPAC4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid
SMILESNc1ncc(Br)cc1S(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H15BrN4O4S/c12-7-5-9(10(13)14-6-7)21(19,20)15-8-1-3-16(4-2-8)11(17)18/h5-6,8,15H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyOLFJJJJXCZMZCT-UHFFFAOYSA-N
MW379.24 g/mol
LogP0.85
Rot. Bonds3

About 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid

4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid (PubChem CID 66820064) has the molecular formula C11H15BrN4O4S and a molecular weight of 379.24 g/mol. Its IUPAC name is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid
PubChem CID66820064
Molecular FormulaC11H15BrN4O4S
Molecular Weight379.24 g/mol
Exact Mass378.00
IUPAC Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid
SMILESNc1ncc(Br)cc1S(=O)(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H15BrN4O4S/c12-7-5-9(10(13)14-6-7)21(19,20)15-8-1-3-16(4-2-8)11(17)18/h5-6,8,15H,1-4H2,(H2,13,14)(H,17,18)
InChIKeyOLFJJJJXCZMZCT-UHFFFAOYSA-N
XLogP0.85
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid (CID 66820064) is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid is Nc1ncc(Br)cc1S(=O)(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid?
The InChIKey is OLFJJJJXCZMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O4S/c12-7-5-9(10(13)14-6-7)21(19,20)15-8-1-3-16(4-2-8)11(17)18/h5-6,8,15H,1-4H2,(H2,13,14)(H,17,18).
What are the key properties of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid?
4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid has a molecular weight of 379.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66820064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).