5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide

C10H23N3O3S — CID 114816110

IUPAC5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(CN)CCC1C
InChIInChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLSMBHPARCFLXLD-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.47
Rot. Bonds6

About 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide

5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 114816110) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
PubChem CID114816110
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CC(CN)CCC1C
InChIInChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLSMBHPARCFLXLD-UHFFFAOYSA-N
XLogP-0.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide 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

5-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114810850
2-amino-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815510
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
3-amino-N-(2-methoxyethyl)-4-methylpyrrolidine-1-sulfonamide
CID 103576440
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
3-(1-aminoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114816244
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide (CID 114816110) is 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide is COCCNS(=O)(=O)N1CC(CN)CCC1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is LSMBHPARCFLXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9-3-4-10(7-11)8-13(9)17(14,15)12-5-6-16-2/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide?
5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxyethyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 114816110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).