1,4-bis(thiophen-2-ylsulfonyl)piperazine

C12H14N2O4S4 — CID 1034118

IUPAC1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H14N2O4S4/c15-21(16,11-3-1-9-19-11)13-5-7-14(8-6-13)22(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyNEPNMHLSBDWWTD-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.50
Rot. Bonds4

About 1,4-bis(thiophen-2-ylsulfonyl)piperazine

1,4-bis(thiophen-2-ylsulfonyl)piperazine (PubChem CID 1034118) has the molecular formula C12H14N2O4S4 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,4-bis(thiophen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1,4-bis(thiophen-2-ylsulfonyl)piperazine
PubChem CID1034118
Molecular FormulaC12H14N2O4S4
Molecular Weight378.52 g/mol
Exact Mass377.98
IUPAC Name1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H14N2O4S4/c15-21(16,11-3-1-9-19-11)13-5-7-14(8-6-13)22(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyNEPNMHLSBDWWTD-UHFFFAOYSA-N
XLogP1.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The IUPAC name of 1,4-bis(thiophen-2-ylsulfonyl)piperazine (CID 1034118) is 1,4-bis(thiophen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The canonical SMILES for 1,4-bis(thiophen-2-ylsulfonyl)piperazine is O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The InChIKey is NEPNMHLSBDWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S4/c15-21(16,11-3-1-9-19-11)13-5-7-14(8-6-13)22(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2.
What are the key properties of 1,4-bis(thiophen-2-ylsulfonyl)piperazine?
1,4-bis(thiophen-2-ylsulfonyl)piperazine has a molecular weight of 378.52 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(thiophen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 1034118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).