N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide

C13H23N3O3S — CID 106094078

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccc(CNC)o1)C1CC1
InChIInChI=1S/C13H23N3O3S/c1-3-16(11-4-5-11)9-8-15-20(17,18)13-7-6-12(19-13)10-14-2/h6-7,11,14-15H,3-5,8-10H2,1-2H3
InChIKeyLTFYBABETVSCJL-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.76
Rot. Bonds9

About N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide

N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106094078) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106094078
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1ccc(CNC)o1)C1CC1
InChIInChI=1S/C13H23N3O3S/c1-3-16(11-4-5-11)9-8-15-20(17,18)13-7-6-12(19-13)10-14-2/h6-7,11,14-15H,3-5,8-10H2,1-2H3
InChIKeyLTFYBABETVSCJL-UHFFFAOYSA-N
XLogP0.76
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106062802
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094042
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
CID 104859212
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
N-(4-hydroxypentyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106137737
5-(methylaminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 80686304
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-hydrazinylpyridine-4-sulfonamide
CID 114132997
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106377727
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(hydroxymethyl)-1H-pyrazole-5-sulfonamide
CID 106013667

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide (CID 106094078) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide is CCN(CCNS(=O)(=O)c1ccc(CNC)o1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is LTFYBABETVSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-16(11-4-5-11)9-8-15-20(17,18)13-7-6-12(19-13)10-14-2/h6-7,11,14-15H,3-5,8-10H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106094078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).