N-(2-amino-2-methylpropyl)ethanesulfonamide

C6H16N2O2S — CID 115303418

IUPACN-(2-amino-2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C6H16N2O2S/c1-4-11(9,10)8-5-6(2,3)7/h8H,4-5,7H2,1-3H3
InChIKeyPQKDJSVFISQYBQ-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.34
Rot. Bonds4

About N-(2-amino-2-methylpropyl)ethanesulfonamide

N-(2-amino-2-methylpropyl)ethanesulfonamide (PubChem CID 115303418) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)ethanesulfonamide
PubChem CID115303418
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-(2-amino-2-methylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C6H16N2O2S/c1-4-11(9,10)8-5-6(2,3)7/h8H,4-5,7H2,1-3H3
InChIKeyPQKDJSVFISQYBQ-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)ethanesulfonamide 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-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
N-(2-amino-2-ethylbutyl)-2,2-dimethylpropane-1-sulfonamide
CID 115306037
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
2-amino-2-methyl-1-[[methyl(propyl)sulfamoyl]amino]propane;hydrochloride
CID 119988007
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
2-[(2-amino-2-ethylbutyl)sulfamoyl]acetic acid
CID 115305990
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide
CID 99607332

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)ethanesulfonamide (CID 115303418) is N-(2-amino-2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)ethanesulfonamide is CCS(=O)(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)ethanesulfonamide?
The InChIKey is PQKDJSVFISQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-11(9,10)8-5-6(2,3)7/h8H,4-5,7H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)ethanesulfonamide?
N-(2-amino-2-methylpropyl)ethanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 115303418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).