3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate

C10H15NO7S3 — CID 15599386

IUPAC3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate
SMILESCOCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)
InChIKeyMOMLLLAVKFYQAR-UHFFFAOYSA-N
MW357.43 g/mol
LogP-0.25
Rot. Bonds8

About 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate

3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate (PubChem CID 15599386) has the molecular formula C10H15NO7S3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate.

Molecular Properties

Compound Name3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate
PubChem CID15599386
Molecular FormulaC10H15NO7S3
Molecular Weight357.43 g/mol
Exact Mass357.00
IUPAC Name3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate
SMILESCOCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)
InChIKeyMOMLLLAVKFYQAR-UHFFFAOYSA-N
XLogP-0.25
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate?
The IUPAC name of 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate (CID 15599386) is 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate.
What is the SMILES notation for 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate?
The canonical SMILES for 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate is COCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate?
The InChIKey is MOMLLLAVKFYQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16).
What are the key properties of 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate?
3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate has a molecular weight of 357.43 g/mol, XLogP of -0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-sulfamoylthiophen-2-yl)sulfonylpropyl 2-methoxyacetate is sourced from PubChem (CID 15599386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).