methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate

C9H15N3O5S2 — CID 113341897

IUPACmethyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O5S2/c1-12(4-3-8(13)17-2)19(15,16)10-5-7-6-18-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyKRGKIHFXJLGUSF-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.73
Rot. Bonds7

About methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate

methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate (PubChem CID 113341897) has the molecular formula C9H15N3O5S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate
PubChem CID113341897
Molecular FormulaC9H15N3O5S2
Molecular Weight309.37 g/mol
Exact Mass309.05
IUPAC Namemethyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O5S2/c1-12(4-3-8(13)17-2)19(15,16)10-5-7-6-18-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyKRGKIHFXJLGUSF-UHFFFAOYSA-N
XLogP-0.73
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate
CID 103868093
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380654
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380668
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380780
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380801
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380904

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate (CID 113341897) is methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate?
The InChIKey is KRGKIHFXJLGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S2/c1-12(4-3-8(13)17-2)19(15,16)10-5-7-6-18-9(14)11-7/h6,10H,3-5H2,1-2H3,(H,11,14).
What are the key properties of methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate?
methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate has a molecular weight of 309.37 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate is sourced from PubChem (CID 113341897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).