N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide

C12H17BrN2O2S — CID 115271965

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
SMILESNCC1(CNS(=O)(=O)c2ccccc2Br)CCC1
InChIInChI=1S/C12H17BrN2O2S/c13-10-4-1-2-5-11(10)18(16,17)15-9-12(8-14)6-3-7-12/h1-2,4-5,15H,3,6-9,14H2
InChIKeySMEUZVAJLNAWNW-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.86
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide (PubChem CID 115271965) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
PubChem CID115271965
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide
SMILESNCC1(CNS(=O)(=O)c2ccccc2Br)CCC1
InChIInChI=1S/C12H17BrN2O2S/c13-10-4-1-2-5-11(10)18(16,17)15-9-12(8-14)6-3-7-12/h1-2,4-5,15H,3,6-9,14H2
InChIKeySMEUZVAJLNAWNW-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-bromobenzenesulfonamide
CID 3687690
2-[[1-(aminomethyl)cyclohexyl]methylamino]benzenesulfonamide
CID 103970388
[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
CID 90313478
2-N-[(1-ethylcyclopropyl)methyl]benzene-1,2-disulfonamide
CID 114101616
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 103965250
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 104859283
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456954
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 115365882

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide (CID 115271965) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide is NCC1(CNS(=O)(=O)c2ccccc2Br)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide?
The InChIKey is SMEUZVAJLNAWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-10-4-1-2-5-11(10)18(16,17)15-9-12(8-14)6-3-7-12/h1-2,4-5,15H,3,6-9,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-bromobenzenesulfonamide is sourced from PubChem (CID 115271965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).