2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide

C12H18BrN3O2S — CID 103823892

IUPAC2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C12H18BrN3O2S/c1-2-3-12(4-5-12)8-16-19(17,18)10-6-9(13)7-15-11(10)14/h6-7,16H,2-5,8H2,1H3,(H2,14,15)
InChIKeyAEDXTFOTSURDLN-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 103823892) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID103823892
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C12H18BrN3O2S/c1-2-3-12(4-5-12)8-16-19(17,18)10-6-9(13)7-15-11(10)14/h6-7,16H,2-5,8H2,1H3,(H2,14,15)
InChIKeyAEDXTFOTSURDLN-UHFFFAOYSA-N
XLogP2.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103838013
5-bromo-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114749964
2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 174698725
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 103823892) is 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide is CCCC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is AEDXTFOTSURDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-2-3-12(4-5-12)8-16-19(17,18)10-6-9(13)7-15-11(10)14/h6-7,16H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103823892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).