2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H21BrN2O3S2 — CID 106086828

IUPAC2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(CNC)sc1Br
InChIInChI=1S/C12H21BrN2O3S2/c1-5-18-12(2,3)8-15-20(16,17)10-6-9(7-14-4)19-11(10)13/h6,14-15H,5,7-8H2,1-4H3
InChIKeyUEMJXKBLDVUTLC-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.32
Rot. Bonds8

About 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106086828) has the molecular formula C12H21BrN2O3S2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106086828
Molecular FormulaC12H21BrN2O3S2
Molecular Weight385.35 g/mol
Exact Mass384.02
IUPAC Name2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1cc(CNC)sc1Br
InChIInChI=1S/C12H21BrN2O3S2/c1-5-18-12(2,3)8-15-20(16,17)10-6-9(7-14-4)19-11(10)13/h6,14-15H,5,7-8H2,1-4H3
InChIKeyUEMJXKBLDVUTLC-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106086831
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106058681
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106086828) is 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CCOC(C)(C)CNS(=O)(=O)c1cc(CNC)sc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is UEMJXKBLDVUTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O3S2/c1-5-18-12(2,3)8-15-20(16,17)10-6-9(7-14-4)19-11(10)13/h6,14-15H,5,7-8H2,1-4H3.
What are the key properties of 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 385.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106086828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).