1-benzyl-4-thiophen-2-ylsulfonylpiperazine

C15H18N2O2S2 — CID 649627

IUPAC1-benzyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2S2/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyPWNDMDQXWCGPEB-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.25
Rot. Bonds4

About 1-benzyl-4-thiophen-2-ylsulfonylpiperazine

1-benzyl-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 649627) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzyl-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-thiophen-2-ylsulfonylpiperazine
PubChem CID649627
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name1-benzyl-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2S2/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyPWNDMDQXWCGPEB-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine (CID 649627) is 1-benzyl-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is PWNDMDQXWCGPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-21(19,15-7-4-12-20-15)17-10-8-16(9-11-17)13-14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-thiophen-2-ylsulfonylpiperazine?
1-benzyl-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 322.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 649627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).