3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C11H19N3O4S2 — CID 106335796

IUPAC3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H19N3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)11-5-2-4-10(8-11)9-12/h2,4-5,8,13-14H,3,6-7,9,12H2,1H3
InChIKeyGAGHBFPZRSTXOV-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.64
Rot. Bonds8

About 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106335796) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106335796
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H19N3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)11-5-2-4-10(8-11)9-12/h2,4-5,8,13-14H,3,6-7,9,12H2,1H3
InChIKeyGAGHBFPZRSTXOV-UHFFFAOYSA-N
XLogP-0.64
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide 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

3-(aminomethyl)-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093703
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233
3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106335796) is 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is GAGHBFPZRSTXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)11-5-2-4-10(8-11)9-12/h2,4-5,8,13-14H,3,6-7,9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106335796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).