N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide

C12H20N2O2S — CID 86814125

IUPACN-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)NCCN
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)10-6-4-5-7-11(10)17(15,16)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeySZSSYNXUWVAGSI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.22
Rot. Bonds4

About N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide

N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide (PubChem CID 86814125) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
PubChem CID86814125
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)NCCN
InChIInChI=1S/C12H20N2O2S/c1-12(2,3)10-6-4-5-7-11(10)17(15,16)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeySZSSYNXUWVAGSI-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide 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

2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
lithium 2-tert-butylbenzenesulfonate
CID 23719371
N-(2-aminoethyl)-2,3-difluorobenzenesulfonamide;hydrochloride
CID 119960023
2-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
CID 71997588
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
CID 100648205
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide (CID 86814125) is N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide is CC(C)(C)c1ccccc1S(=O)(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide?
The InChIKey is SZSSYNXUWVAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-12(2,3)10-6-4-5-7-11(10)17(15,16)14-9-8-13/h4-7,14H,8-9,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide?
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide is sourced from PubChem (CID 86814125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).