methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate

C8H12N2O5S2 — CID 60723954

IUPACmethyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C8H12N2O5S2/c1-5-7(16-8(12)10-5)17(13,14)9-4-3-6(11)15-2/h9H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCPLEISSSZALGQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.41
Rot. Bonds5

About methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate

methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate (PubChem CID 60723954) has the molecular formula C8H12N2O5S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate
PubChem CID60723954
Molecular FormulaC8H12N2O5S2
Molecular Weight280.33 g/mol
Exact Mass280.02
IUPAC Namemethyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C8H12N2O5S2/c1-5-7(16-8(12)10-5)17(13,14)9-4-3-6(11)15-2/h9H,3-4H2,1-2H3,(H,10,12)
InChIKeyCCPLEISSSZALGQ-UHFFFAOYSA-N
XLogP-0.41
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate (CID 60723954) is methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The InChIKey is CCPLEISSSZALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S2/c1-5-7(16-8(12)10-5)17(13,14)9-4-3-6(11)15-2/h9H,3-4H2,1-2H3,(H,10,12).
What are the key properties of methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate?
methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate has a molecular weight of 280.33 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoate is sourced from PubChem (CID 60723954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).