3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide

C9H21N3O3S — CID 60850427

IUPAC3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H21N3O3S/c1-9(2,3)12-5-4-8(13)11-6-7-16(10,14)15/h12H,4-7H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyAZEDKYAFIVHQTO-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.83
Rot. Bonds6

About 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide

3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide (PubChem CID 60850427) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide
PubChem CID60850427
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide
SMILESCC(C)(C)NCCC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C9H21N3O3S/c1-9(2,3)12-5-4-8(13)11-6-7-16(10,14)15/h12H,4-7H2,1-3H3,(H,11,13)(H2,10,14,15)
InChIKeyAZEDKYAFIVHQTO-UHFFFAOYSA-N
XLogP-0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[Butyl(dimethyl)azaniumyl]propanoylamino]-2-methylpropane-1-sulfonate
CID 1870615
3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106337201
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114175229
2-[3-(Diethylamino)propanoylamino]-2-methylpropane-1-sulfonic acid
CID 3097431
3-(2,2-Dimethylpropanoylamino)propane-1-sulfonate
CID 20672710
3-amino-N-(2-methylsulfonylethyl)propanamide
CID 20707560
N-butyl-3-(methanesulfonamido)propanamide
CID 23563470
(2-Amino-2-methylpropyl) 3-acetamidopropane-1-sulfonate
CID 25216530
N-[2-(ethylsulfonylamino)ethyl]-2-methylpropanamide
CID 57561784

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide (CID 60850427) is 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide is CC(C)(C)NCCC(=O)NCCS(N)(=O)=O.
What is the InChIKey of 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is AZEDKYAFIVHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-9(2,3)12-5-4-8(13)11-6-7-16(10,14)15/h12H,4-7H2,1-3H3,(H,11,13)(H2,10,14,15).
What are the key properties of 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide?
3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 251.35 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 60850427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).