4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C13H20N2O3S — CID 104600117

IUPAC4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(N)cc2)C1(C)C
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)18-3)15-19(16,17)10-6-4-9(14)5-7-10/h4-7,11-12,15H,8,14H2,1-3H3
InChIKeyXMIBFYMJKKSULH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide

4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 104600117) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID104600117
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2ccc(N)cc2)C1(C)C
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)18-3)15-19(16,17)10-6-4-9(14)5-7-10/h4-7,11-12,15H,8,14H2,1-3H3
InChIKeyXMIBFYMJKKSULH-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 103743716
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 103743706
4-amino-N-(2,2-dimethylcyclopropyl)-3-methoxybenzenesulfonamide
CID 81438418
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 114632554
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2-adamantyl)-4-aminobenzenesulfonamide
CID 11771200
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
4-amino-N-(5-oxo-4,4-dipropyloxolan-3-yl)benzenesulfonamide
CID 18761661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 104600117) is 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide is COC1CC(NS(=O)(=O)c2ccc(N)cc2)C1(C)C.
What is the InChIKey of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is XMIBFYMJKKSULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)18-3)15-19(16,17)10-6-4-9(14)5-7-10/h4-7,11-12,15H,8,14H2,1-3H3.
What are the key properties of 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 104600117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).