4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine

C9H15BrN4O2S — CID 106076050

IUPAC4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
SMILESCN(CCCN)S(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C9H15BrN4O2S/c1-14(6-2-4-11)17(15,16)13-9-3-5-12-7-8(9)10/h3,5,7H,2,4,6,11H2,1H3,(H,12,13)
InChIKeyVACZKLBIKFGUOO-UHFFFAOYSA-N
MW323.22 g/mol
LogP0.78
Rot. Bonds6

About 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine

4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine (PubChem CID 106076050) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
PubChem CID106076050
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
SMILESCN(CCCN)S(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C9H15BrN4O2S/c1-14(6-2-4-11)17(15,16)13-9-3-5-12-7-8(9)10/h3,5,7H,2,4,6,11H2,1H3,(H,12,13)
InChIKeyVACZKLBIKFGUOO-UHFFFAOYSA-N
XLogP0.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106075946

Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine?
The IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine (CID 106076050) is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine?
The canonical SMILES for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine is CN(CCCN)S(=O)(=O)Nc1ccncc1Br.
What is the InChIKey of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine?
The InChIKey is VACZKLBIKFGUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-14(6-2-4-11)17(15,16)13-9-3-5-12-7-8(9)10/h3,5,7H,2,4,6,11H2,1H3,(H,12,13).
What are the key properties of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine?
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine has a molecular weight of 323.22 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine is sourced from PubChem (CID 106076050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).