N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide

C16H26N2O2S — CID 79699038

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(C)(C)C(N)C2(C)C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-10-7-8-12(9-11(10)2)21(19,20)18-14-15(3,4)13(17)16(14,5)6/h7-9,13-14,18H,17H2,1-6H3
InChIKeyUMFWUQKDBOCCHM-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.34
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 79699038) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
PubChem CID79699038
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(C)(C)C(N)C2(C)C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-10-7-8-12(9-11(10)2)21(19,20)18-14-15(3,4)13(17)16(14,5)6/h7-9,13-14,18H,17H2,1-6H3
InChIKeyUMFWUQKDBOCCHM-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide 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-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 114632554
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide
CID 79699044
3-(aminomethyl)-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357481
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
3-amino-4,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351747
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide (CID 79699038) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C(C)(C)C(N)C2(C)C)cc1C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UMFWUQKDBOCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-7-8-12(9-11(10)2)21(19,20)18-14-15(3,4)13(17)16(14,5)6/h7-9,13-14,18H,17H2,1-6H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 79699038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).