N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide

C12H21N3O2S — CID 114138869

IUPACN-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-13-10-11-5-4-6-12(9-11)18(16,17)14-7-8-15(2)3/h4-6,9,13-14H,7-8,10H2,1-3H3
InChIKeyRGTKUCUVARXZAB-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.25
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 114138869) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID114138869
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C12H21N3O2S/c1-13-10-11-5-4-6-12(9-11)18(16,17)14-7-8-15(2)3/h4-6,9,13-14H,7-8,10H2,1-3H3
InChIKeyRGTKUCUVARXZAB-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106057582
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106095235
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide (CID 114138869) is N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is RGTKUCUVARXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-13-10-11-5-4-6-12(9-11)18(16,17)14-7-8-15(2)3/h4-6,9,13-14H,7-8,10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 114138869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).