5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide

C14H25N3O3S — CID 62843792

IUPAC5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H25N3O3S/c1-11-9-13(15)10-14(12(11)2)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyBWTKOKILORDOLP-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.74
Rot. Bonds8

About 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide

5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 62843792) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
PubChem CID62843792
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H25N3O3S/c1-11-9-13(15)10-14(12(11)2)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyBWTKOKILORDOLP-UHFFFAOYSA-N
XLogP0.74
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106056423
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]propanamide
CID 43553101
5-amino-2,3-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982651
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide (CID 62843792) is 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is BWTKOKILORDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-9-13(15)10-14(12(11)2)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3.
What are the key properties of 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide?
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 62843792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).