2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide

C13H24BrN3O3S — CID 103192351

IUPAC2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CNC)oc1Br
InChIInChI=1S/C13H24BrN3O3S/c1-6-17(10(2)9-16(4)5)21(18,19)12-7-11(8-15-3)20-13(12)14/h7,10,15H,6,8-9H2,1-5H3
InChIKeyHZAOQGBZWRPTAC-UHFFFAOYSA-N
MW382.32 g/mol
LogP1.72
Rot. Bonds8

About 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide

2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 103192351) has the molecular formula C13H24BrN3O3S and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID103192351
Molecular FormulaC13H24BrN3O3S
Molecular Weight382.32 g/mol
Exact Mass381.07
IUPAC Name2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(CNC)oc1Br
InChIInChI=1S/C13H24BrN3O3S/c1-6-17(10(2)9-16(4)5)21(18,19)12-7-11(8-15-3)20-13(12)14/h7,10,15H,6,8-9H2,1-5H3
InChIKeyHZAOQGBZWRPTAC-UHFFFAOYSA-N
XLogP1.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 103192336
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 103192356
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 103192351) is 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cc(CNC)oc1Br.
What is the InChIKey of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is HZAOQGBZWRPTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O3S/c1-6-17(10(2)9-16(4)5)21(18,19)12-7-11(8-15-3)20-13(12)14/h7,10,15H,6,8-9H2,1-5H3.
What are the key properties of 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide?
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 382.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 103192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).