3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine

C16H26N2O3S — CID 119992847

IUPAC3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCCc1cccc(S(=O)(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C16H26N2O3S/c1-2-14-5-3-6-16(13-14)22(19,20)18-10-7-15(8-11-18)21-12-4-9-17/h3,5-6,13,15H,2,4,7-12,17H2,1H3
InChIKeyOFDIZVMTWSSITC-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.77
Rot. Bonds7

About 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine

3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (PubChem CID 119992847) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
PubChem CID119992847
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCCc1cccc(S(=O)(=O)N2CCC(OCCCN)CC2)c1
InChIInChI=1S/C16H26N2O3S/c1-2-14-5-3-6-16(13-14)22(19,20)18-10-7-15(8-11-18)21-12-4-9-17/h3,5-6,13,15H,2,4,7-12,17H2,1H3
InChIKeyOFDIZVMTWSSITC-UHFFFAOYSA-N
XLogP1.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine 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-[1-[3-(methoxymethyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992775
1-[3-[4-(3-aminopropoxy)piperidin-1-yl]sulfonylphenyl]propan-1-one
CID 119992916
2-[1-[3-(aminomethyl)phenyl]sulfonylpiperidin-4-yl]oxyethanol
CID 82012695
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992789
3-[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992838
4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
CID 119992821
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992794
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992733
3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992878
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
3-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992630
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 79736720

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (CID 119992847) is 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is CCc1cccc(S(=O)(=O)N2CCC(OCCCN)CC2)c1.
What is the InChIKey of 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The InChIKey is OFDIZVMTWSSITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-2-14-5-3-6-16(13-14)22(19,20)18-10-7-15(8-11-18)21-12-4-9-17/h3,5-6,13,15H,2,4,7-12,17H2,1H3.
What are the key properties of 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine has a molecular weight of 326.46 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 119992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).