4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate

C11H17NO4S2 — CID 65382673

IUPAC4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(C)CC(C)OC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO4S2/c1-7(2)4-8(3)16-11(13)9-5-10(17-6-9)18(12,14)15/h5-8H,4H2,1-3H3,(H2,12,14,15)
InChIKeyFYYJNWXWYNZBQB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds5

About 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate

4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 65382673) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
PubChem CID65382673
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(C)CC(C)OC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO4S2/c1-7(2)4-8(3)16-11(13)9-5-10(17-6-9)18(12,14)15/h5-8H,4H2,1-3H3,(H2,12,14,15)
InChIKeyFYYJNWXWYNZBQB-UHFFFAOYSA-N
XLogP1.99
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721282
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18102735
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119361365
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 30589098
2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
CID 30589125
4-methylpentan-2-yl 4-ethyl-3-sulfamoylbenzoate
CID 65382054
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46684045
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18206042
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55462894
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46648512

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate (CID 65382673) is 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate is CC(C)CC(C)OC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is FYYJNWXWYNZBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-7(2)4-8(3)16-11(13)9-5-10(17-6-9)18(12,14)15/h5-8H,4H2,1-3H3,(H2,12,14,15).
What are the key properties of 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate?
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 65382673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).