4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide

C12H21N3O2S — CID 43754787

IUPAC4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCN(C)C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(14-8-9-15(2)3)11-4-6-12(7-5-11)18(13,16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,13,16,17)
InChIKeyGZHDRAFCCQIGPP-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.55
Rot. Bonds6

About 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide

4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide (PubChem CID 43754787) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
PubChem CID43754787
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NCCN(C)C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(14-8-9-15(2)3)11-4-6-12(7-5-11)18(13,16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,13,16,17)
InChIKeyGZHDRAFCCQIGPP-UHFFFAOYSA-N
XLogP0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide (CID 43754787) is 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide is CC(NCCN(C)C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is GZHDRAFCCQIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(14-8-9-15(2)3)11-4-6-12(7-5-11)18(13,16)17/h4-7,10,14H,8-9H2,1-3H3,(H2,13,16,17).
What are the key properties of 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide?
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43754787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).