N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide

C13H23N3O3S — CID 42815568

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)S(C)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-15(2)13-6-5-12(14)9-11(13)10-16(7-8-19-3)20(4,17)18/h5-6,9H,7-8,10,14H2,1-4H3
InChIKeyZSKRUNNPCJYGAU-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.74
Rot. Bonds7

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 42815568) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
PubChem CID42815568
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)S(C)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-15(2)13-6-5-12(14)9-11(13)10-16(7-8-19-3)20(4,17)18/h5-6,9H,7-8,10,14H2,1-4H3
InChIKeyZSKRUNNPCJYGAU-UHFFFAOYSA-N
XLogP0.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42815459
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 61427697
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
N-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42816302
1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
CID 141451850
2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
CID 170754741
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
4-[[bis(2-methoxyethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81118120

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide (CID 42815568) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide is COCCN(Cc1cc(N)ccc1N(C)C)S(C)(=O)=O.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is ZSKRUNNPCJYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-15(2)13-6-5-12(14)9-11(13)10-16(7-8-19-3)20(4,17)18/h5-6,9H,7-8,10,14H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 42815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).