N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide

C14H25N3O2S — CID 43956477

IUPACN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-20(18,19)15-11-14(17(4)5)12-7-9-13(10-8-12)16(2)3/h7-10,14-15H,6,11H2,1-5H3
InChIKeyTVNUSCVHKASEQH-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide

N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide (PubChem CID 43956477) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
PubChem CID43956477
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C14H25N3O2S/c1-6-20(18,19)15-11-14(17(4)5)12-7-9-13(10-8-12)16(2)3/h7-10,14-15H,6,11H2,1-5H3
InChIKeyTVNUSCVHKASEQH-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]prop-2-yne-1-sulfonamide
CID 7497946
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 20962689
5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]thiophene-2-sulfonamide
CID 7497893
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
CID 7497879
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide (CID 43956477) is N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide?
The InChIKey is TVNUSCVHKASEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-20(18,19)15-11-14(17(4)5)12-7-9-13(10-8-12)16(2)3/h7-10,14-15H,6,11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide?
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide is sourced from PubChem (CID 43956477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).