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

C16H26N2O4S — CID 119992789

IUPAC3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-2-21-14-4-6-16(7-5-14)23(19,20)18-11-8-15(9-12-18)22-13-3-10-17/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyZGPHSWFZEKURNM-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.60
Rot. Bonds8

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

3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (PubChem CID 119992789) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
PubChem CID119992789
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-2-21-14-4-6-16(7-5-14)23(19,20)18-11-8-15(9-12-18)22-13-3-10-17/h4-7,15H,2-3,8-13,17H2,1H3
InChIKeyZGPHSWFZEKURNM-UHFFFAOYSA-N
XLogP1.60
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-N,N-diethylbenzamide;hydrochloride
CID 119992821
3-[1-(3-ethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992847
3-[1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992881
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412
3-[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992838
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine (CID 119992789) is 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is CCOc1ccc(S(=O)(=O)N2CCC(OCCCN)CC2)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
The InChIKey is ZGPHSWFZEKURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-2-21-14-4-6-16(7-5-14)23(19,20)18-11-8-15(9-12-18)22-13-3-10-17/h4-7,15H,2-3,8-13,17H2,1H3.
What are the key properties of 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine?
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine has a molecular weight of 342.46 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 119992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).