N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide

C12H20N2O3S — CID 64593310

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H20N2O3S/c1-4-18(15,16)13-11-6-5-7-12(10-11)17-9-8-14(2)3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyOCCHYGQNJUWHNA-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.39
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide

N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide (PubChem CID 64593310) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
PubChem CID64593310
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C12H20N2O3S/c1-4-18(15,16)13-11-6-5-7-12(10-11)17-9-8-14(2)3/h5-7,10,13H,4,8-9H2,1-3H3
InChIKeyOCCHYGQNJUWHNA-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]ethanesulfonamide
CID 18789706

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide (CID 64593310) is N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide?
The InChIKey is OCCHYGQNJUWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-18(15,16)13-11-6-5-7-12(10-11)17-9-8-14(2)3/h5-7,10,13H,4,8-9H2,1-3H3.
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide is sourced from PubChem (CID 64593310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).