N-(3-aminopropyl)-2-methoxybenzenesulfonamide

C10H16N2O3S — CID 43605820

IUPACN-(3-aminopropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCCN
InChIInChI=1S/C10H16N2O3S/c1-15-9-5-2-3-6-10(9)16(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8,11H2,1H3
InChIKeyAVNXWCLQNJDIFC-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.32
Rot. Bonds6

About N-(3-aminopropyl)-2-methoxybenzenesulfonamide

N-(3-aminopropyl)-2-methoxybenzenesulfonamide (PubChem CID 43605820) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxybenzenesulfonamide
PubChem CID43605820
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(3-aminopropyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCCN
InChIInChI=1S/C10H16N2O3S/c1-15-9-5-2-3-6-10(9)16(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8,11H2,1H3
InChIKeyAVNXWCLQNJDIFC-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127
N-(3-aminopropyl)-4-bromo-5-fluoro-2-methoxybenzenesulfonamide
CID 120706820
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methoxybenzenesulfonamide (CID 43605820) is N-(3-aminopropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methoxybenzenesulfonamide?
The InChIKey is AVNXWCLQNJDIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-9-5-2-3-6-10(9)16(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-methoxybenzenesulfonamide?
N-(3-aminopropyl)-2-methoxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43605820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).