methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate

C11H19N3O4S2 — CID 103731373

IUPACmethyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C11H19N3O4S2/c1-11(2,10-12-6-8-19-10)13-20(16,17)14(3)7-5-9(15)18-4/h6,8,13H,5,7H2,1-4H3
InChIKeyVHWNWEVRFJFNKK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.71
Rot. Bonds7

About methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate

methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate (PubChem CID 103731373) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate
PubChem CID103731373
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Namemethyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C11H19N3O4S2/c1-11(2,10-12-6-8-19-10)13-20(16,17)14(3)7-5-9(15)18-4/h6,8,13H,5,7H2,1-4H3
InChIKeyVHWNWEVRFJFNKK-UHFFFAOYSA-N
XLogP0.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate 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

methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
5-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]thiophene-3-carboxylic acid
CID 75456984
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
CID 103744445
methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
CID 66351480
methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
CID 104600365
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
CID 113433480

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate (CID 103731373) is methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NC(C)(C)c1nccs1.
What is the InChIKey of methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate?
The InChIKey is VHWNWEVRFJFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-11(2,10-12-6-8-19-10)13-20(16,17)14(3)7-5-9(15)18-4/h6,8,13H,5,7H2,1-4H3.
What are the key properties of methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate?
methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate has a molecular weight of 321.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate is sourced from PubChem (CID 103731373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).