4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide

C11H19N3O2S — CID 63766633

IUPAC4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CCN)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C11H19N3O2S/c1-3-14(9-8-12)10-4-6-11(7-5-10)17(15,16)13-2/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyDWGFPPPOGAFELE-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.38
Rot. Bonds6

About 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide

4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide (PubChem CID 63766633) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
PubChem CID63766633
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
SMILESCCN(CCN)c1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C11H19N3O2S/c1-3-14(9-8-12)10-4-6-11(7-5-10)17(15,16)13-2/h4-7,13H,3,8-9,12H2,1-2H3
InChIKeyDWGFPPPOGAFELE-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
4-N-(3-aminopropyl)-1-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 115319076
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772430
N,N-diethyl-4-methylsulfonylaniline
CID 145223146
5-amino-2-[butyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 103286581
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide (CID 63766633) is 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide is CCN(CCN)c1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is DWGFPPPOGAFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-14(9-8-12)10-4-6-11(7-5-10)17(15,16)13-2/h4-7,13H,3,8-9,12H2,1-2H3.
What are the key properties of 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide?
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63766633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).