3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide

C10H16N2O3S — CID 16786055

IUPAC3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H16N2O3S/c1-15-6-5-12-16(13,14)10-4-2-3-9(7-10)8-11/h2-4,7,12H,5-6,8,11H2,1H3
InChIKeyNJLZMQINOQFCFG-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.07
Rot. Bonds6

About 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide

3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 16786055) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID16786055
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H16N2O3S/c1-15-6-5-12-16(13,14)10-4-2-3-9(7-10)8-11/h2-4,7,12H,5-6,8,11H2,1H3
InChIKeyNJLZMQINOQFCFG-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.07
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-amino-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide
CID 119324497
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 60844266
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111811705
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 16786055) is 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is NJLZMQINOQFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-6-5-12-16(13,14)10-4-2-3-9(7-10)8-11/h2-4,7,12H,5-6,8,11H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide?
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 16786055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).