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

C9H16BrN3O3S — CID 114138879

IUPAC5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C9H16BrN3O3S/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
InChIKeyACMGZBNNSPIRQW-UHFFFAOYSA-N
MW326.22 g/mol
LogP0.34
Rot. Bonds6

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

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide (PubChem CID 114138879) has the molecular formula C9H16BrN3O3S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
PubChem CID114138879
Molecular FormulaC9H16BrN3O3S
Molecular Weight326.22 g/mol
Exact Mass325.01
IUPAC Name5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C9H16BrN3O3S/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
InChIKeyACMGZBNNSPIRQW-UHFFFAOYSA-N
XLogP0.34
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)phenyl]furan-3-sulfonamide
CID 106005665
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
CID 106044189
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide (CID 114138879) is 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide is CN(C)CCNS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide?
The InChIKey is ACMGZBNNSPIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O3S/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]furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide has a molecular weight of 326.22 g/mol, XLogP of 0.34, 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]furan-3-sulfonamide is sourced from PubChem (CID 114138879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).