3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

C14H24N2O4S — CID 106086687

IUPAC3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(CN)c1
InChIInChI=1S/C14H24N2O4S/c1-5-20-14(2,3)10-16-21(17,18)12-6-7-13(19-4)11(8-12)9-15/h6-8,16H,5,9-10,15H2,1-4H3
InChIKeyAPSVKZJBLWZVPF-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.25
Rot. Bonds8

About 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide

3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 106086687) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
PubChem CID106086687
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
SMILESCCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(CN)c1
InChIInChI=1S/C14H24N2O4S/c1-5-20-14(2,3)10-16-21(17,18)12-6-7-13(19-4)11(8-12)9-15/h6-8,16H,5,9-10,15H2,1-4H3
InChIKeyAPSVKZJBLWZVPF-UHFFFAOYSA-N
XLogP1.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
3-(aminomethyl)-N-(3,3-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 106085442
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 106079027
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide
CID 28718145
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
3-(aminomethyl)-4-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050652
3-(aminomethyl)-4-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077413
3-(aminomethyl)-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077662
3-(aminomethyl)-4-ethoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331682
3-(aminomethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410794

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide (CID 106086687) is 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is CCOC(C)(C)CNS(=O)(=O)c1ccc(OC)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is APSVKZJBLWZVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-20-14(2,3)10-16-21(17,18)12-6-7-13(19-4)11(8-12)9-15/h6-8,16H,5,9-10,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide?
3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106086687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).