4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide

C14H25N3O3S — CID 62842954

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-16(2)21(18,19)14-7-5-13(6-8-14)15-9-10-17(3)11-12-20-4/h5-8,15H,9-12H2,1-4H3
InChIKeyNVCJWQSETQAOKK-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.93
Rot. Bonds9

About 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide

4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 62842954) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID62842954
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-16(2)21(18,19)14-7-5-13(6-8-14)15-9-10-17(3)11-12-20-4/h5-8,15H,9-12H2,1-4H3
InChIKeyNVCJWQSETQAOKK-UHFFFAOYSA-N
XLogP0.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
N'-(2-methoxyethyl)-N'-methyl-N-pyridin-4-ylethane-1,2-diamine
CID 62844188
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide (CID 62842954) is 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide is COCCN(C)CCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NVCJWQSETQAOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-16(2)21(18,19)14-7-5-13(6-8-14)15-9-10-17(3)11-12-20-4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide?
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62842954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).