5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

C14H21BrN2O2S2 — CID 106091811

IUPAC5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(CN)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S2/c1-9-6-10(8-16)7-13(14(9)15)21(18,19)17-11-4-3-5-12(11)20-2/h6-7,11-12,17H,3-5,8,16H2,1-2H3
InChIKeyYNGGJSYYPJGDSY-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.78
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 106091811) has the molecular formula C14H21BrN2O2S2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID106091811
Molecular FormulaC14H21BrN2O2S2
Molecular Weight393.37 g/mol
Exact Mass392.02
IUPAC Name5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1cc(CN)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S2/c1-9-6-10(8-16)7-13(14(9)15)21(18,19)17-11-4-3-5-12(11)20-2/h6-7,11-12,17H,3-5,8,16H2,1-2H3
InChIKeyYNGGJSYYPJGDSY-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
5-(aminomethyl)-2-bromo-N-(1-cyclopentylethyl)-3-methylbenzenesulfonamide
CID 106066144
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
5-(aminomethyl)-2-bromo-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 106075431
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
5-(aminomethyl)-3-bromo-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 81481552
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (CID 106091811) is 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is CSC1CCCC1NS(=O)(=O)c1cc(CN)cc(C)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is YNGGJSYYPJGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S2/c1-9-6-10(8-16)7-13(14(9)15)21(18,19)17-11-4-3-5-12(11)20-2/h6-7,11-12,17H,3-5,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
5-(aminomethyl)-2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 393.37 g/mol, XLogP of 2.78, 5 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-(2-methylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106091811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).