N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide

C14H24N2O3S — CID 81260224

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-16(11-14(2,3)10-15)20(17,18)13-8-6-7-12(9-13)19-4/h6-9H,5,10-11,15H2,1-4H3
InChIKeyAGMMMKZPQYMKRP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.69
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide (PubChem CID 81260224) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
PubChem CID81260224
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCN(CC(C)(C)CN)S(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O3S/c1-5-16(11-14(2,3)10-15)20(17,18)13-8-6-7-12(9-13)19-4/h6-9H,5,10-11,15H2,1-4H3
InChIKeyAGMMMKZPQYMKRP-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
3-amino-N-(5-amino-2,2-dimethylpentyl)-N-ethylbenzenesulfonamide;ethane
CID 142012161
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 79668101
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
3-(benzenesulfonyl)-N-ethyl-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 174546129
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
3-methoxybenzenesulfonamide
CID 14763060

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide (CID 81260224) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide is CCN(CC(C)(C)CN)S(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide?
The InChIKey is AGMMMKZPQYMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-16(11-14(2,3)10-15)20(17,18)13-8-6-7-12(9-13)19-4/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81260224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).