N-tert-butyl-2-(ethylsulfonylamino)propanamide

C9H20N2O3S — CID 47400721

IUPACN-tert-butyl-2-(ethylsulfonylamino)propanamide
SMILESCCS(=O)(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-6-15(13,14)11-7(2)8(12)10-9(3,4)5/h7,11H,6H2,1-5H3,(H,10,12)
InChIKeyCCFBGYHUZSNGLM-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.23
Rot. Bonds4

About N-tert-butyl-2-(ethylsulfonylamino)propanamide

N-tert-butyl-2-(ethylsulfonylamino)propanamide (PubChem CID 47400721) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-tert-butyl-2-(ethylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(ethylsulfonylamino)propanamide
PubChem CID47400721
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-tert-butyl-2-(ethylsulfonylamino)propanamide
SMILESCCS(=O)(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H20N2O3S/c1-6-15(13,14)11-7(2)8(12)10-9(3,4)5/h7,11H,6H2,1-5H3,(H,10,12)
InChIKeyCCFBGYHUZSNGLM-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-(ethylsulfonylamino)propanamide 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-tert-butyl-2-(dimethylsulfamoylamino)propanamide
CID 47464795
N-tert-butyl-2-(2-methylbutan-2-ylamino)propanamide
CID 43087431
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propylsulfonylamino)propanamide
CID 55082542
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
N-tert-butyl-2-(2,2-dimethylhydrazinyl)propanamide
CID 83013632
(2R)-N-tert-butyl-2-methyl-3-sulfamoylpropanamide
CID 139520541
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(ethylsulfonylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(ethylsulfonylamino)propanamide (CID 47400721) is N-tert-butyl-2-(ethylsulfonylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(ethylsulfonylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(ethylsulfonylamino)propanamide is CCS(=O)(=O)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(ethylsulfonylamino)propanamide?
The InChIKey is CCFBGYHUZSNGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-6-15(13,14)11-7(2)8(12)10-9(3,4)5/h7,11H,6H2,1-5H3,(H,10,12).
What are the key properties of N-tert-butyl-2-(ethylsulfonylamino)propanamide?
N-tert-butyl-2-(ethylsulfonylamino)propanamide has a molecular weight of 236.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(ethylsulfonylamino)propanamide is sourced from PubChem (CID 47400721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).