2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide

C13H19N3O3S — CID 81167868

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
SMILESNCC1(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H19N3O3S/c14-9-13(5-2-6-13)8-12(17)16-10-3-1-4-11(7-10)20(15,18)19/h1,3-4,7H,2,5-6,8-9,14H2,(H,16,17)(H2,15,18,19)
InChIKeyGUNLXTKDFASCQK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 81167868) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
PubChem CID81167868
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide
SMILESNCC1(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H19N3O3S/c14-9-13(5-2-6-13)8-12(17)16-10-3-1-4-11(7-10)20(15,18)19/h1,3-4,7H,2,5-6,8-9,14H2,(H,16,17)(H2,15,18,19)
InChIKeyGUNLXTKDFASCQK-UHFFFAOYSA-N
XLogP0.79
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
2-(1-aminocyclohexyl)-N-(3-sulfamoylphenyl)acetamide
CID 64683337
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 104677669
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532301
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4843996
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide (CID 81167868) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide is NCC1(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is GUNLXTKDFASCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c14-9-13(5-2-6-13)8-12(17)16-10-3-1-4-11(7-10)20(15,18)19/h1,3-4,7H,2,5-6,8-9,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 81167868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).