5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

C8H14BrClN2O2S2 — CID 119972955

IUPAC5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(C)c(Br)s1.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(14-8(6)9)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H
InChIKeyPVLSEWSGJIAXPP-UHFFFAOYSA-N
MW349.70 g/mol
LogP1.74
Rot. Bonds5

About 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride

5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119972955) has the molecular formula C8H14BrClN2O2S2 and a molecular weight of 349.70 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119972955
Molecular FormulaC8H14BrClN2O2S2
Molecular Weight349.70 g/mol
Exact Mass347.94
IUPAC Name5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(C)c(Br)s1.Cl
InChIInChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(14-8(6)9)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H
InChIKeyPVLSEWSGJIAXPP-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
4,5-dimethyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 84597266
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
3-bromo-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972869
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride (CID 119972955) is 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is CNCCNS(=O)(=O)c1cc(C)c(Br)s1.Cl.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is PVLSEWSGJIAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S2.ClH/c1-6-5-7(14-8(6)9)15(12,13)11-4-3-10-2;/h5,10-11H,3-4H2,1-2H3;1H.
What are the key properties of 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride?
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 349.70 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119972955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).