5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide

C13H20BrN3O2S — CID 106075431

IUPAC5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NN2CCCCC2)c1Br
InChIInChI=1S/C13H20BrN3O2S/c1-10-7-11(9-15)8-12(13(10)14)20(18,19)16-17-5-3-2-4-6-17/h7-8,16H,2-6,9,15H2,1H3
InChIKeyRJBUVKKWAVIGCR-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.90
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide

5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 106075431) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide
PubChem CID106075431
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NN2CCCCC2)c1Br
InChIInChI=1S/C13H20BrN3O2S/c1-10-7-11(9-15)8-12(13(10)14)20(18,19)16-17-5-3-2-4-6-17/h7-8,16H,2-6,9,15H2,1H3
InChIKeyRJBUVKKWAVIGCR-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 114362746
5-(aminomethyl)-2-bromo-N-(1-methoxy-2-methylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106080773
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106066144
2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 83012282
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091811
5-(aminomethyl)-2-bromo-N-(furan-3-ylmethyl)-3-methylbenzenesulfonamide
CID 114365803
5-(aminomethyl)-2-bromo-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055720
[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
CID 114364518
3-(aminomethyl)-4-fluoro-5-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075398
5-amino-4-chloro-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83013462

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide (CID 106075431) is 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)NN2CCCCC2)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is RJBUVKKWAVIGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-10-7-11(9-15)8-12(13(10)14)20(18,19)16-17-5-3-2-4-6-17/h7-8,16H,2-6,9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide?
5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 106075431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).