N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide

C13H23N3O2S — CID 75433497

IUPACN-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(C)c1ccccc1N(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-19(17,18)14-10-11-16(4)13-9-7-6-8-12(13)15(2)3/h6-9,14H,5,10-11H2,1-4H3
InChIKeyDXMADVKJOODWSZ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.13
Rot. Bonds7

About N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide

N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide (PubChem CID 75433497) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide
PubChem CID75433497
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN(C)c1ccccc1N(C)C
InChIInChI=1S/C13H23N3O2S/c1-5-19(17,18)14-10-11-16(4)13-9-7-6-8-12(13)15(2)3/h6-9,14H,5,10-11H2,1-4H3
InChIKeyDXMADVKJOODWSZ-UHFFFAOYSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide (CID 75433497) is N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN(C)c1ccccc1N(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide?
The InChIKey is DXMADVKJOODWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-19(17,18)14-10-11-16(4)13-9-7-6-8-12(13)15(2)3/h6-9,14H,5,10-11H2,1-4H3.
What are the key properties of N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide?
N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-N-methylanilino]ethyl]ethanesulfonamide is sourced from PubChem (CID 75433497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).