ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate

C13H19BrN4O4S — CID 3244974

IUPACethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H19BrN4O4S/c1-2-22-13(19)18-5-3-10(4-6-18)17-23(20,21)11-7-9(14)8-16-12(11)15/h7-8,10,17H,2-6H2,1H3,(H2,15,16)
InChIKeyVZAACTLWDFYQLF-UHFFFAOYSA-N
MW407.29 g/mol
LogP1.33
Rot. Bonds4

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

ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 3244974) has the molecular formula C13H19BrN4O4S and a molecular weight of 407.29 g/mol. Its IUPAC name is ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID3244974
Molecular FormulaC13H19BrN4O4S
Molecular Weight407.29 g/mol
Exact Mass406.03
IUPAC Nameethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H19BrN4O4S/c1-2-22-13(19)18-5-3-10(4-6-18)17-23(20,21)11-7-9(14)8-16-12(11)15/h7-8,10,17H,2-6H2,1H3,(H2,15,16)
InChIKeyVZAACTLWDFYQLF-UHFFFAOYSA-N
XLogP1.33
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate (CID 3244974) is ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is VZAACTLWDFYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O4S/c1-2-22-13(19)18-5-3-10(4-6-18)17-23(20,21)11-7-9(14)8-16-12(11)15/h7-8,10,17H,2-6H2,1H3,(H2,15,16).
What are the key properties of ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 407.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3244974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).