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

C15H23BrN4O3S — CID 46272050

IUPAC2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
SMILESCC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C15H23BrN4O3S/c1-10-5-11(2)9-20(8-10)14(21)3-4-19-24(22,23)13-6-12(16)7-18-15(13)17/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,17,18)
InChIKeyDLUSOMGBFSVKPZ-UHFFFAOYSA-N
MW419.35 g/mol
LogP1.60
Rot. Bonds5

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

2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide (PubChem CID 46272050) has the molecular formula C15H23BrN4O3S and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
PubChem CID46272050
Molecular FormulaC15H23BrN4O3S
Molecular Weight419.35 g/mol
Exact Mass418.07
IUPAC Name2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
SMILESCC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)C1
InChIInChI=1S/C15H23BrN4O3S/c1-10-5-11(2)9-20(8-10)14(21)3-4-19-24(22,23)13-6-12(16)7-18-15(13)17/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,17,18)
InChIKeyDLUSOMGBFSVKPZ-UHFFFAOYSA-N
XLogP1.60
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272025
ethyl (3S)-1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-3-carboxylate
CID 92504863
2-amino-5-bromo-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 24789930
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
5-[[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 123879064
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide (CID 46272050) is 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide is CC1CC(C)CN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)C1.
What is the InChIKey of 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
The InChIKey is DLUSOMGBFSVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3S/c1-10-5-11(2)9-20(8-10)14(21)3-4-19-24(22,23)13-6-12(16)7-18-15(13)17/h6-7,10-11,19H,3-5,8-9H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide has a molecular weight of 419.35 g/mol, XLogP of 1.60, 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-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 46272050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).