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

C9H14N2O5S2 — CID 103868093

IUPACmethyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O5S2/c1-16-8(12)3-2-4-18(14,15)10-5-7-6-17-9(13)11-7/h6,10H,2-5H2,1H3,(H,11,13)
InChIKeyLRDXATHEOVLYCI-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.19
Rot. Bonds7

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

methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate (PubChem CID 103868093) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate
PubChem CID103868093
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Namemethyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O5S2/c1-16-8(12)3-2-4-18(14,15)10-5-7-6-17-9(13)11-7/h6,10H,2-5H2,1H3,(H,11,13)
InChIKeyLRDXATHEOVLYCI-UHFFFAOYSA-N
XLogP-0.19
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate (CID 103868093) is methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate?
The InChIKey is LRDXATHEOVLYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-16-8(12)3-2-4-18(14,15)10-5-7-6-17-9(13)11-7/h6,10H,2-5H2,1H3,(H,11,13).
What are the key properties of methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate?
methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate has a molecular weight of 294.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]butanoate is sourced from PubChem (CID 103868093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).