5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide

C11H20BrN3O2S2 — CID 106051850

IUPAC5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H20BrN3O2S2/c1-15(2)6-4-3-5-14-19(16,17)10-7-9(8-13)18-11(10)12/h7,14H,3-6,8,13H2,1-2H3
InChIKeyONTKLYAZYHFMDF-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.59
Rot. Bonds8

About 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide (PubChem CID 106051850) has the molecular formula C11H20BrN3O2S2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
PubChem CID106051850
Molecular FormulaC11H20BrN3O2S2
Molecular Weight370.34 g/mol
Exact Mass369.02
IUPAC Name5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H20BrN3O2S2/c1-15(2)6-4-3-5-14-19(16,17)10-7-9(8-13)18-11(10)12/h7,14H,3-6,8,13H2,1-2H3
InChIKeyONTKLYAZYHFMDF-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
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)-2-bromo-N-[3-(triazol-1-yl)propyl]thiophene-3-sulfonamide
CID 106077061
2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
4-(aminomethyl)-2-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 107975735
3-amino-4-bromo-5-chloro-N-[4-(dimethylamino)butyl]-2-fluorobenzenesulfonamide
CID 103077439
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide (CID 106051850) is 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide is CN(C)CCCCNS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide?
The InChIKey is ONTKLYAZYHFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O2S2/c1-15(2)6-4-3-5-14-19(16,17)10-7-9(8-13)18-11(10)12/h7,14H,3-6,8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide has a molecular weight of 370.34 g/mol, XLogP of 1.59, 8 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-[4-(dimethylamino)butyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106051850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).