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

C13H23N3O2S — CID 62635028

IUPAC3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
SMILESCCN(C)CCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H23N3O2S/c1-4-16(3)9-8-15-11(2)12-6-5-7-13(10-12)19(14,17)18/h5-7,10-11,15H,4,8-9H2,1-3H3,(H2,14,17,18)
InChIKeyPNJLNKPXDOPDIG-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.94
Rot. Bonds7

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

3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide (PubChem CID 62635028) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
PubChem CID62635028
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
SMILESCCN(C)CCNC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H23N3O2S/c1-4-16(3)9-8-15-11(2)12-6-5-7-13(10-12)19(14,17)18/h5-7,10-11,15H,4,8-9H2,1-3H3,(H2,14,17,18)
InChIKeyPNJLNKPXDOPDIG-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
3-[1-(3-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115898473
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(3-cyclopropylpropylamino)ethyl]benzenesulfonamide
CID 115898656
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide (CID 62635028) is 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide is CCN(C)CCNC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide?
The InChIKey is PNJLNKPXDOPDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-16(3)9-8-15-11(2)12-6-5-7-13(10-12)19(14,17)18/h5-7,10-11,15H,4,8-9H2,1-3H3,(H2,14,17,18).
What are the key properties of 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide?
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62635028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).