5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

C14H22BrN3O2S — CID 106075068

IUPAC5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C14H22BrN3O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-8-12(9-16)6-7-13(14)15/h6-8,10-11,17H,3-5,9,16H2,1-2H3
InChIKeyJTYLUVADIWEZTH-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.36
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide

5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (PubChem CID 106075068) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
PubChem CID106075068
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
SMILESCC1CCCC(C)N1NS(=O)(=O)c1cc(CN)ccc1Br
InChIInChI=1S/C14H22BrN3O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-8-12(9-16)6-7-13(14)15/h6-8,10-11,17H,3-5,9,16H2,1-2H3
InChIKeyJTYLUVADIWEZTH-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
2-amino-4-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide
CID 83012991
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
5-(aminomethyl)-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079153
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
5-(aminomethyl)-2-bromo-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077537
1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
CID 83012753
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide (CID 106075068) is 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is CC1CCCC(C)N1NS(=O)(=O)c1cc(CN)ccc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is JTYLUVADIWEZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-10-4-3-5-11(2)18(10)17-21(19,20)14-8-12(9-16)6-7-13(14)15/h6-8,10-11,17H,3-5,9,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.36, 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-N-(2,6-dimethylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 106075068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).