N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide

C14H25N3O3S — CID 106056406

IUPACN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)CCOC)c1
InChIInChI=1S/C14H25N3O3S/c1-15-12-13-5-4-6-14(11-13)21(18,19)16-7-8-17(2)9-10-20-3/h4-6,11,15-16H,7-10,12H2,1-3H3
InChIKeyXNRHJTQETNTNKL-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.26
Rot. Bonds10

About N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide

N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106056406) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106056406
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCN(C)CCOC)c1
InChIInChI=1S/C14H25N3O3S/c1-15-12-13-5-4-6-14(11-13)21(18,19)16-7-8-17(2)9-10-20-3/h4-6,11,15-16H,7-10,12H2,1-3H3
InChIKeyXNRHJTQETNTNKL-UHFFFAOYSA-N
XLogP0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106057582

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide (CID 106056406) is N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCN(C)CCOC)c1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is XNRHJTQETNTNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-15-12-13-5-4-6-14(11-13)21(18,19)16-7-8-17(2)9-10-20-3/h4-6,11,15-16H,7-10,12H2,1-3H3.
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide?
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106056406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).