4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide

C12H19N3O2S — CID 80560838

IUPAC4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
SMILESNC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H19N3O2S/c13-10-7-11(8-10)15-6-5-9-1-3-12(4-2-9)18(14,16)17/h1-4,10-11,15H,5-8,13H2,(H2,14,16,17)
InChIKeyVLKCAHUWWVUXNL-UHFFFAOYSA-N
MW269.37 g/mol
LogP-0.04
Rot. Bonds5

About 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide

4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide (PubChem CID 80560838) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
PubChem CID80560838
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
SMILESNC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C12H19N3O2S/c13-10-7-11(8-10)15-6-5-9-1-3-12(4-2-9)18(14,16)17/h1-4,10-11,15H,5-8,13H2,(H2,14,16,17)
InChIKeyVLKCAHUWWVUXNL-UHFFFAOYSA-N
XLogP-0.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide (CID 80560838) is 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide is NC1CC(NCCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide?
The InChIKey is VLKCAHUWWVUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-7-11(8-10)15-6-5-9-1-3-12(4-2-9)18(14,16)17/h1-4,10-11,15H,5-8,13H2,(H2,14,16,17).
What are the key properties of 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 80560838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).