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

C8H13N3O5S2 — CID 106379595

IUPAC3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O5S2/c1-11(3-2-7(12)13)18(15,16)9-4-6-5-17-8(14)10-6/h5,9H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyDILLSKMLCKASSC-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.82
Rot. Bonds7

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

3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid (PubChem CID 106379595) has the molecular formula C8H13N3O5S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
PubChem CID106379595
Molecular FormulaC8H13N3O5S2
Molecular Weight295.34 g/mol
Exact Mass295.03
IUPAC Name3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O5S2/c1-11(3-2-7(12)13)18(15,16)9-4-6-5-17-8(14)10-6/h5,9H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyDILLSKMLCKASSC-UHFFFAOYSA-N
XLogP-0.82
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
CID 106379574
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]propanoic acid
CID 106379587
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoic acid
CID 106379597
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380874
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380908
2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380983
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106382805
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 106382806
4-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-2-oxo-3H-1,3-thiazole
CID 106383834
methyl 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoate
CID 113341897

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid (CID 106379595) is 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid?
The InChIKey is DILLSKMLCKASSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S2/c1-11(3-2-7(12)13)18(15,16)9-4-6-5-17-8(14)10-6/h5,9H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid?
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid is sourced from PubChem (CID 106379595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).