5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide

C12H20BrN2O3S2+ — CID 9114921

IUPAC5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)s1)[NH+]1CCOCC1
InChIInChI=1S/C12H19BrN2O3S2/c1-12(2,15-5-7-18-8-6-15)9-14-20(16,17)11-4-3-10(13)19-11/h3-4,14H,5-9H2,1-2H3/p+1
InChIKeyAAADXAITZKFPSG-UHFFFAOYSA-O
MW384.34 g/mol
LogP0.48
Rot. Bonds5

About 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide

5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide (PubChem CID 9114921) has the molecular formula C12H20BrN2O3S2+ and a molecular weight of 384.34 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
PubChem CID9114921
Molecular FormulaC12H20BrN2O3S2+
Molecular Weight384.34 g/mol
Exact Mass383.01
IUPAC Name5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(Br)s1)[NH+]1CCOCC1
InChIInChI=1S/C12H19BrN2O3S2/c1-12(2,15-5-7-18-8-6-15)9-14-20(16,17)11-4-3-10(13)19-11/h3-4,14H,5-9H2,1-2H3/p+1
InChIKeyAAADXAITZKFPSG-UHFFFAOYSA-O
XLogP0.48
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide (CID 9114921) is 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide is CC(C)(CNS(=O)(=O)c1ccc(Br)s1)[NH+]1CCOCC1.
What is the InChIKey of 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is AAADXAITZKFPSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-12(2,15-5-7-18-8-6-15)9-14-20(16,17)11-4-3-10(13)19-11/h3-4,14H,5-9H2,1-2H3/p+1.
What are the key properties of 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 384.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 9114921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).