2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate

C10H15NO5S2 — CID 60721282

IUPAC2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(C)OCCOC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15NO5S2/c1-7(2)15-3-4-16-10(12)8-5-9(17-6-8)18(11,13)14/h5-7H,3-4H2,1-2H3,(H2,11,13,14)
InChIKeyCCNRGYFMMAPLIG-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.98
Rot. Bonds6

About 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate

2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 60721282) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
PubChem CID60721282
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(C)OCCOC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15NO5S2/c1-7(2)15-3-4-16-10(12)8-5-9(17-6-8)18(11,13)14/h5-7H,3-4H2,1-2H3,(H2,11,13,14)
InChIKeyCCNRGYFMMAPLIG-UHFFFAOYSA-N
XLogP0.98
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
2-(2-methylpropoxy)ethyl 5-chlorosulfonylthiophene-3-carboxylate
CID 106450848
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
2-propan-2-yloxyethyl 3-sulfamoylbenzoate
CID 60643819
2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
CID 30589125
2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65382693
2-propan-2-yloxyethyl 4-fluoro-3-methyl-5-sulfamoylbenzoate
CID 65382691
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18102735
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
2-propan-2-yloxyethyl 4-sulfanylthiophene-2-carboxylate
CID 107018469
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
2-propan-2-yloxyethyl 4-bromo-3-chlorosulfonylbenzoate
CID 65375458

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate (CID 60721282) is 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate is CC(C)OCCOC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is CCNRGYFMMAPLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7(2)15-3-4-16-10(12)8-5-9(17-6-8)18(11,13)14/h5-7H,3-4H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate?
2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 60721282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).