1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O3S2 — CID 8745174

IUPAC1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-14-22-16)18-10-8-17(9-11-18)12-13-21-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyYGGOBDODGKFPLE-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.13
Rot. Bonds6

About 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 8745174) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID8745174
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-14-22-16)18-10-8-17(9-11-18)12-13-21-15-5-2-1-3-6-15/h1-7,14H,8-13H2
InChIKeyYGGOBDODGKFPLE-UHFFFAOYSA-N
XLogP2.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine (CID 8745174) is 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is YGGOBDODGKFPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c19-23(20,16-7-4-14-22-16)18-10-8-17(9-11-18)12-13-21-15-5-2-1-3-6-15/h1-7,14H,8-13H2.
What are the key properties of 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 352.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 8745174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).