N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide

C12H22N2O4S — CID 102998456

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C12H22N2O4S/c1-4-14(9-5-8-13(2)3)19(16,17)12-7-6-11(10-15)18-12/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyHPLXNHUDOYHZNR-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.73
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide (PubChem CID 102998456) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide
PubChem CID102998456
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CO)o1
InChIInChI=1S/C12H22N2O4S/c1-4-14(9-5-8-13(2)3)19(16,17)12-7-6-11(10-15)18-12/h6-7,15H,4-5,8-10H2,1-3H3
InChIKeyHPLXNHUDOYHZNR-UHFFFAOYSA-N
XLogP0.73
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-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

N,N-bis(2-ethoxyethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 82940209
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
N-[3-(dimethylamino)propyl]-N-ethylsulfamoyl chloride
CID 102992224
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
CID 102996705

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide (CID 102998456) is N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccc(CO)o1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide?
The InChIKey is HPLXNHUDOYHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-14(9-5-8-13(2)3)19(16,17)12-7-6-11(10-15)18-12/h6-7,15H,4-5,8-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide has a molecular weight of 290.38 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-5-(hydroxymethyl)furan-2-sulfonamide is sourced from PubChem (CID 102998456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).