N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide

C14H24N2O3S — CID 63287373

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O3S/c1-12-5-6-14(11-13(12)2)20(17,18)16(8-4-7-15)9-10-19-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyYLAYVIUSQGPPAE-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.29
Rot. Bonds8

About N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide

N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 63287373) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
PubChem CID63287373
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H24N2O3S/c1-12-5-6-14(11-13(12)2)20(17,18)16(8-4-7-15)9-10-19-3/h5-6,11H,4,7-10,15H2,1-3H3
InChIKeyYLAYVIUSQGPPAE-UHFFFAOYSA-N
XLogP1.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
3-amino-4-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126076
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
2-[(3,4-dimethylphenyl)sulfonyl-(2-fluorosulfonylethyl)amino]ethanesulfonyl fluoride
CID 3135680
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 55171323
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107329467

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide (CID 63287373) is N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide is COCCN(CCCN)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is YLAYVIUSQGPPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-12-5-6-14(11-13(12)2)20(17,18)16(8-4-7-15)9-10-19-3/h5-6,11H,4,7-10,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 63287373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).