4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

C11H18N2O3S — CID 106919075

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O3S/c1-9-7-11(4-3-10(9)8-12)17(14,15)13-5-6-16-2/h3-4,7,13H,5-6,8,12H2,1-2H3
InChIKeyLYFIAHVFVGOPOW-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.38
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (PubChem CID 106919075) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
PubChem CID106919075
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C11H18N2O3S/c1-9-7-11(4-3-10(9)8-12)17(14,15)13-5-6-16-2/h3-4,7,13H,5-6,8,12H2,1-2H3
InChIKeyLYFIAHVFVGOPOW-UHFFFAOYSA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
4-(aminomethyl)-N-(3-ethoxypropyl)-3-methylbenzenesulfonamide
CID 106919050
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N,N-dimethylacetamide
CID 106919128
3-(aminomethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 106064650
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide (CID 106919075) is 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is COCCNS(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is LYFIAHVFVGOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-7-11(4-3-10(9)8-12)17(14,15)13-5-6-16-2/h3-4,7,13H,5-6,8,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).