2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide

C13H20N2O2S — CID 113488706

IUPAC2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccccc2CN)CCC1
InChIInChI=1S/C13H20N2O2S/c1-2-13(8-5-9-13)15-18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7,15H,2,5,8-10,14H2,1H3
InChIKeyZZCXWUGCPYXLQL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds5

About 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide

2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide (PubChem CID 113488706) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide
PubChem CID113488706
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccccc2CN)CCC1
InChIInChI=1S/C13H20N2O2S/c1-2-13(8-5-9-13)15-18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7,15H,2,5,8-10,14H2,1H3
InChIKeyZZCXWUGCPYXLQL-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-ethyl-N-(1-ethylcyclobutyl)pyrazole-4-sulfonamide
CID 113488577
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
3-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-2-sulfonamide
CID 103307452
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 63159552
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105416124
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943
1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
CID 113485385
2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222385
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide (CID 113488706) is 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2ccccc2CN)CCC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide?
The InChIKey is ZZCXWUGCPYXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-13(8-5-9-13)15-18(16,17)12-7-4-3-6-11(12)10-14/h3-4,6-7,15H,2,5,8-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide?
2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).