4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine

C17H21NO3S2 — CID 126807179

IUPAC4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine
SMILESCc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C17H21NO3S2/c1-13-3-4-14(2)17(11-13)21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyBOQAKCROCUUVQE-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.60
Rot. Bonds4

About 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine

4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine (PubChem CID 126807179) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine
PubChem CID126807179
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine
SMILESCc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccsc3)CC2)c1
InChIInChI=1S/C17H21NO3S2/c1-13-3-4-14(2)17(11-13)21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyBOQAKCROCUUVQE-UHFFFAOYSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine?
The IUPAC name of 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine (CID 126807179) is 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine is Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccsc3)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine?
The InChIKey is BOQAKCROCUUVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-13-3-4-14(2)17(11-13)21-15-5-8-18(9-6-15)23(19,20)16-7-10-22-12-16/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine?
4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine has a molecular weight of 351.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-1-thiophen-3-ylsulfonylpiperidine is sourced from PubChem (CID 126807179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).