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

N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192
4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 103990185
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
N-[(1-aminocyclohexyl)methyl]-2-chloro-5-cyanobenzenesulfonamide
CID 80697074
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914

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).