N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide

C12H15N3O2S — CID 113411790

IUPACN-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(N)CCC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-8-10-2-4-11(5-3-10)18(16,17)15-9-12(14)6-1-7-12/h2-5,15H,1,6-7,9,14H2
InChIKeyDIQXUYGNYYKHEH-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.72
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide

N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide (PubChem CID 113411790) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
PubChem CID113411790
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(N)CCC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-8-10-2-4-11(5-3-10)18(16,17)15-9-12(14)6-1-7-12/h2-5,15H,1,6-7,9,14H2
InChIKeyDIQXUYGNYYKHEH-UHFFFAOYSA-N
XLogP0.72
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Aminoethyl)benzenesulfonamide
CID 169682
4-cyano-N-cyclopropylbenzene-1-sulfonamide
CID 2529983
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-(2-Aminoethyl)-4-methylbenzenesulfonamide
CID 301318
3-cyano-N-methylbenzene-1-sulfonamide
CID 17561991
4-[2-(Sulfamoylamino)ethyl]benzenesulfonamide
CID 60201414
4-(4-Aminobutyl)benzenesulfonamide
CID 139823666
N-[(1R,2R)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 10491871
((1R,2R)-2-aminocyclohexyl)((4-methylphenyl)sulphonyl)amine
CID 10506628
3-cyano-N-propan-2-ylbenzenesulfonamide
CID 7937969
N-[(2S)-1-cyanohexan-2-yl]-4-methylbenzenesulfonamide
CID 44575019
N-[(2S)-1-azidohexan-2-yl]-4-methylbenzenesulfonamide
CID 44575021

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide (CID 113411790) is N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCC2(N)CCC2)cc1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide?
The InChIKey is DIQXUYGNYYKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-10-2-4-11(5-3-10)18(16,17)15-9-12(14)6-1-7-12/h2-5,15H,1,6-7,9,14H2.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide?
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 113411790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).