[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate

C12H17NO4S2 — CID 75407234

IUPAC[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate
SMILESCC/C=C/COC(=O)c1sccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H17NO4S2/c1-4-5-6-8-17-12(14)11-10(7-9-18-11)19(15,16)13(2)3/h5-7,9H,4,8H2,1-3H3/b6-5+
InChIKeyZNQCXYQXLYJDTI-AATRIKPKSA-N
MW303.41 g/mol
LogP2.12
Rot. Bonds6

About [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate

[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 75407234) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate
PubChem CID75407234
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate
SMILESCC/C=C/COC(=O)c1sccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H17NO4S2/c1-4-5-6-8-17-12(14)11-10(7-9-18-11)19(15,16)13(2)3/h5-7,9H,4,8H2,1-3H3/b6-5+
InChIKeyZNQCXYQXLYJDTI-AATRIKPKSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate (CID 75407234) is [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate is CC/C=C/COC(=O)c1sccc1S(=O)(=O)N(C)C.
What is the InChIKey of [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is ZNQCXYQXLYJDTI-AATRIKPKSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-4-5-6-8-17-12(14)11-10(7-9-18-11)19(15,16)13(2)3/h5-7,9H,4,8H2,1-3H3/b6-5+.
What are the key properties of [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate?
[(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-2-enyl] 3-(dimethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 75407234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).