2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide

C14H21BrN4O3S — CID 46272025

IUPAC2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
SMILESCC1CCCCN1C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H21BrN4O3S/c1-10-4-2-3-7-19(10)13(20)5-6-18-23(21,22)12-8-11(15)9-17-14(12)16/h8-10,18H,2-7H2,1H3,(H2,16,17)
InChIKeyUSRNNIUVRXMTKV-UHFFFAOYSA-N
MW405.32 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide (PubChem CID 46272025) has the molecular formula C14H21BrN4O3S and a molecular weight of 405.32 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
PubChem CID46272025
Molecular FormulaC14H21BrN4O3S
Molecular Weight405.32 g/mol
Exact Mass404.05
IUPAC Name2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
SMILESCC1CCCCN1C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H21BrN4O3S/c1-10-4-2-3-7-19(10)13(20)5-6-18-23(21,22)12-8-11(15)9-17-14(12)16/h8-10,18H,2-7H2,1H3,(H2,16,17)
InChIKeyUSRNNIUVRXMTKV-UHFFFAOYSA-N
XLogP1.50
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide (CID 46272025) is 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide is CC1CCCCN1C(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The InChIKey is USRNNIUVRXMTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O3S/c1-10-4-2-3-7-19(10)13(20)5-6-18-23(21,22)12-8-11(15)9-17-14(12)16/h8-10,18H,2-7H2,1H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide has a molecular weight of 405.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 46272025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).