4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine

C17H21NO3S2 — CID 110420741

IUPAC4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H21NO3S2/c1-2-14-5-3-6-16(13-14)21-15-8-10-18(11-9-15)23(19,20)17-7-4-12-22-17/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyKQUUBVKPEFNADX-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.54
Rot. Bonds5

About 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine

4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 110420741) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine
PubChem CID110420741
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H21NO3S2/c1-2-14-5-3-6-16(13-14)21-15-8-10-18(11-9-15)23(19,20)17-7-4-12-22-17/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyKQUUBVKPEFNADX-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine (CID 110420741) is 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine is CCc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is KQUUBVKPEFNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-2-14-5-3-6-16(13-14)21-15-8-10-18(11-9-15)23(19,20)17-7-4-12-22-17/h3-7,12-13,15H,2,8-11H2,1H3.
What are the key properties of 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine?
4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 351.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 110420741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).