3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide

C14H27N3O2S — CID 107487775

IUPAC3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCC2=CCNCC2)C1
InChIInChI=1S/C14H27N3O2S/c1-12-9-13(2)11-17(10-12)20(18,19)16-8-5-14-3-6-15-7-4-14/h3,12-13,15-16H,4-11H2,1-2H3
InChIKeyUHJALJXWYSOLDV-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.11
Rot. Bonds5

About 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide

3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 107487775) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
PubChem CID107487775
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCCC2=CCNCC2)C1
InChIInChI=1S/C14H27N3O2S/c1-12-9-13(2)11-17(10-12)20(18,19)16-8-5-14-3-6-15-7-4-14/h3,12-13,15-16H,4-11H2,1-2H3
InChIKeyUHJALJXWYSOLDV-UHFFFAOYSA-N
XLogP1.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-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

3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
3,3-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488249
4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
CID 107487788
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 120721467
(3R,5R)-N-[(3R)-3-hydroxy-3-phenylpropyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 99850353
4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488158
3,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386158
N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide (CID 107487775) is 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCCC2=CCNCC2)C1.
What is the InChIKey of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is UHJALJXWYSOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-12-9-13(2)11-17(10-12)20(18,19)16-8-5-14-3-6-15-7-4-14/h3,12-13,15-16H,4-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide?
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 107487775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).