N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide

C13H23N3O2S — CID 18432255

IUPACN-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCN(CC)c1ccc(CCNS(C)(=O)=O)cc1N
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)13-7-6-11(10-12(13)14)8-9-15-19(3,17)18/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyYFIKANPXBAJQNJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.21
Rot. Bonds7

About N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide

N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide (PubChem CID 18432255) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
PubChem CID18432255
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCN(CC)c1ccc(CCNS(C)(=O)=O)cc1N
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)13-7-6-11(10-12(13)14)8-9-15-19(3,17)18/h6-7,10,15H,4-5,8-9,14H2,1-3H3
InChIKeyYFIKANPXBAJQNJ-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18921278
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
3-[3-amino-4-(diethylamino)phenyl]-N-tert-butylpropanamide
CID 39112432
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
CID 39112436
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
CID 23320322
3-amino-4-(diethylamino)-N,N-dimethylbenzenesulfonamide
CID 28795747
bis(N-[2-[2-(4-amino-3-methylphenyl)ethylamino]ethyl]methanesulfonamide);sulfuric acid
CID 170839739
3-[3-amino-4-(diethylamino)phenyl]-N-ethyl-N-phenylpropanamide
CID 39131020
3-[3-amino-4-(diethylamino)phenyl]-1-(azepan-1-yl)propan-1-one
CID 39113473
tetrakis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid
CID 173415406

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide (CID 18432255) is N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide is CCN(CC)c1ccc(CCNS(C)(=O)=O)cc1N.
What is the InChIKey of N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide?
The InChIKey is YFIKANPXBAJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-16(5-2)13-7-6-11(10-12(13)14)8-9-15-19(3,17)18/h6-7,10,15H,4-5,8-9,14H2,1-3H3.
What are the key properties of N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide?
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 18432255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).