N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide

C12H21N3O2S — CID 70444686

IUPACN-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
SMILESCCN(CCN(C)c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-4-15(18(3,16)17)10-9-14(2)12-7-5-11(13)6-8-12/h5-8H,4,9-10,13H2,1-3H3
InChIKeyMAQGSBAWVNAWMV-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.99
Rot. Bonds6

About N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide

N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide (PubChem CID 70444686) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
PubChem CID70444686
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide
SMILESCCN(CCN(C)c1ccc(N)cc1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O2S/c1-4-15(18(3,16)17)10-9-14(2)12-7-5-11(13)6-8-12/h5-8H,4,9-10,13H2,1-3H3
InChIKeyMAQGSBAWVNAWMV-UHFFFAOYSA-N
XLogP0.99
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
2-(4-amino-N-methylanilino)ethyl-trimethylazanium
CID 23132182
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
CID 64566301
4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
CID 65175697
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide (CID 70444686) is N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide is CCN(CCN(C)c1ccc(N)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide?
The InChIKey is MAQGSBAWVNAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(18(3,16)17)10-9-14(2)12-7-5-11(13)6-8-12/h5-8H,4,9-10,13H2,1-3H3.
What are the key properties of N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide?
N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-N-methylanilino)ethyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 70444686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).