3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

C17H20N2O3S2 — CID 2971199

IUPAC3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O3S2/c20-16(9-8-15-5-2-1-3-6-15)18-10-12-19(13-11-18)24(21,22)17-7-4-14-23-17/h1-7,14H,8-13H2
InChIKeyXVQKIHDYKUASQC-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.21
Rot. Bonds5

About 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 2971199) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID2971199
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O3S2/c20-16(9-8-15-5-2-1-3-6-15)18-10-12-19(13-11-18)24(21,22)17-7-4-14-23-17/h1-7,14H,8-13H2
InChIKeyXVQKIHDYKUASQC-UHFFFAOYSA-N
XLogP2.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one (CID 2971199) is 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is XVQKIHDYKUASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-16(9-8-15-5-2-1-3-6-15)18-10-12-19(13-11-18)24(21,22)17-7-4-14-23-17/h1-7,14H,8-13H2.
What are the key properties of 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 364.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2971199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).