2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide

C14H23N3O2S — CID 106643533

IUPAC2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-2-17(11-12-6-5-9-16-10-12)13-7-3-4-8-14(13)20(15,18)19/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H2,15,18,19)
InChIKeyPECMFVJHVMBLJN-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds5

About 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide

2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide (PubChem CID 106643533) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
PubChem CID106643533
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-2-17(11-12-6-5-9-16-10-12)13-7-3-4-8-14(13)20(15,18)19/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H2,15,18,19)
InChIKeyPECMFVJHVMBLJN-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(piperidin-3-ylmethyl)amino]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

2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
CID 106643519
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 79389604

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide (CID 106643533) is 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide is CCN(CC1CCCNC1)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide?
The InChIKey is PECMFVJHVMBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-17(11-12-6-5-9-16-10-12)13-7-3-4-8-14(13)20(15,18)19/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H2,15,18,19).
What are the key properties of 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide?
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 106643533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).