5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide

C9H16BrN3O2S2 — CID 114138920

IUPAC5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C9H16BrN3O2S2/c1-13(2)4-3-12-17(14,15)8-5-7(6-11)16-9(8)10/h5,12H,3-4,6,11H2,1-2H3
InChIKeyGHFMIMZHERRPRX-UHFFFAOYSA-N
MW342.28 g/mol
LogP0.81
Rot. Bonds6

About 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide (PubChem CID 114138920) has the molecular formula C9H16BrN3O2S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
PubChem CID114138920
Molecular FormulaC9H16BrN3O2S2
Molecular Weight342.28 g/mol
Exact Mass340.99
IUPAC Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C9H16BrN3O2S2/c1-13(2)4-3-12-17(14,15)8-5-7(6-11)16-9(8)10/h5,12H,3-4,6,11H2,1-2H3
InChIKeyGHFMIMZHERRPRX-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106020201
5-(aminomethyl)-2-bromo-N-[2-(2-methylphenyl)ethyl]thiophene-3-sulfonamide
CID 106070776
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
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5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077061
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide (CID 114138920) is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide is CN(C)CCNS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
The InChIKey is GHFMIMZHERRPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O2S2/c1-13(2)4-3-12-17(14,15)8-5-7(6-11)16-9(8)10/h5,12H,3-4,6,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 114138920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).