3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide

C15H25N3O2S — CID 103910598

IUPAC3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
SMILESCCN(CCNC(C)c1cccc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C15H25N3O2S/c1-3-18(14-7-8-14)10-9-17-12(2)13-5-4-6-15(11-13)21(16,19)20/h4-6,11-12,14,17H,3,7-10H2,1-2H3,(H2,16,19,20)
InChIKeyJMTKPYOULRUQHB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.47
Rot. Bonds8

About 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide

3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide (PubChem CID 103910598) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
PubChem CID103910598
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
SMILESCCN(CCNC(C)c1cccc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C15H25N3O2S/c1-3-18(14-7-8-14)10-9-17-12(2)13-5-4-6-15(11-13)21(16,19)20/h4-6,11-12,14,17H,3,7-10H2,1-2H3,(H2,16,19,20)
InChIKeyJMTKPYOULRUQHB-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
3-[1-[(1-propylcyclopropyl)methylamino]ethyl]benzenesulfonamide
CID 103911381
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide (CID 103910598) is 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide is CCN(CCNC(C)c1cccc(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide?
The InChIKey is JMTKPYOULRUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(14-7-8-14)10-9-17-12(2)13-5-4-6-15(11-13)21(16,19)20/h4-6,11-12,14,17H,3,7-10H2,1-2H3,(H2,16,19,20).
What are the key properties of 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide?
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103910598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).