[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid

C11H20BNO4S2 — CID 11993912

IUPAC[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid
SMILESCCCc1cc(B(O)O)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H20BNO4S2/c1-5-6-8-7-9(12(14)15)10(18-8)19(16,17)13-11(2,3)4/h7,13-15H,5-6H2,1-4H3
InChIKeyYEOMHLVKILKMHT-UHFFFAOYSA-N
MW305.23 g/mol
LogP0.46
Rot. Bonds5

About [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid

[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid (PubChem CID 11993912) has the molecular formula C11H20BNO4S2 and a molecular weight of 305.23 g/mol. Its IUPAC name is [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid
PubChem CID11993912
Molecular FormulaC11H20BNO4S2
Molecular Weight305.23 g/mol
Exact Mass305.09
IUPAC Name[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid
SMILESCCCc1cc(B(O)O)c(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H20BNO4S2/c1-5-6-8-7-9(12(14)15)10(18-8)19(16,17)13-11(2,3)4/h7,13-15H,5-6H2,1-4H3
InChIKeyYEOMHLVKILKMHT-UHFFFAOYSA-N
XLogP0.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-(N-(tert-Butyl)sulfamoyl)-5-isobutylthiophen-3-yl)boronic acid
CID 11484000
N-tert-butyl-3-fluoro-5-methylthiophene-2-sulfonamide
CID 146617602
N-tert-butyl-4-fluoro-5-(2-methylpropyl)thiophene-2-sulfonamide
CID 176252542
N-(tert-Butyl)-5-isobutylthiophene-2-sulfonamide
CID 11482758
5-Butyl-N-tert-butylthiophene-2-sulfonamide
CID 11993904
5-Butyl-2-(N-tert-butylaminosulfonyl)thiophene-3-boronic acid
CID 11993911
N-tert.-butyl-5-methyl-thiophene-2-sulfonamide
CID 20471879
[2-(Tert-butylsulfamoyl)-5-methylthiophen-3-yl]boronic acid
CID 22957007
N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide
CID 23331882
5-ethyl-N-tert. butyl-thiophene-2-sulfonamide
CID 23331884
N-tert-Butyl-5-(propan-2-yl)thiophene-2-sulfonamide
CID 71348598
[2-(Tert-butylsulfamoyl)-5-(2-methylphenyl)thiophen-3-yl]boronic acid
CID 141692068

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid?
The IUPAC name of [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid (CID 11993912) is [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid.
What is the SMILES notation for [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid?
The canonical SMILES for [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid is CCCc1cc(B(O)O)c(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid?
The InChIKey is YEOMHLVKILKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO4S2/c1-5-6-8-7-9(12(14)15)10(18-8)19(16,17)13-11(2,3)4/h7,13-15H,5-6H2,1-4H3.
What are the key properties of [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid?
[2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid has a molecular weight of 305.23 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylsulfamoyl)-5-propylthiophen-3-yl]boronic acid is sourced from PubChem (CID 11993912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).