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

C15H18N2O3S2 — CID 711769

IUPAC1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-4-13(5-7-14)16-8-10-17(11-9-16)22(18,19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyCTWQTDXATASNGZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.27
Rot. Bonds4

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

1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 711769) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID711769
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-6-4-13(5-7-14)16-8-10-17(11-9-16)22(18,19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyCTWQTDXATASNGZ-UHFFFAOYSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 711769) is 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is CTWQTDXATASNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-20-14-6-4-13(5-7-14)16-8-10-17(11-9-16)22(18,19)15-3-2-12-21-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 338.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 711769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).