2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine

C14H18N2O4S4 — CID 2943723

IUPAC2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)c2cccs2)C(C)CN1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S4/c1-11-9-16(24(19,20)14-6-4-8-22-14)12(2)10-15(11)23(17,18)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQPERQSWQFQLREI-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.28
Rot. Bonds4

About 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine

2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine (PubChem CID 2943723) has the molecular formula C14H18N2O4S4 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
PubChem CID2943723
Molecular FormulaC14H18N2O4S4
Molecular Weight406.58 g/mol
Exact Mass406.01
IUPAC Name2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
SMILESCC1CN(S(=O)(=O)c2cccs2)C(C)CN1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S4/c1-11-9-16(24(19,20)14-6-4-8-22-14)12(2)10-15(11)23(17,18)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQPERQSWQFQLREI-UHFFFAOYSA-N
XLogP2.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The IUPAC name of 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine (CID 2943723) is 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine is CC1CN(S(=O)(=O)c2cccs2)C(C)CN1S(=O)(=O)c1cccs1.
What is the InChIKey of 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
The InChIKey is QPERQSWQFQLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S4/c1-11-9-16(24(19,20)14-6-4-8-22-14)12(2)10-15(11)23(17,18)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine?
2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine has a molecular weight of 406.58 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine is sourced from PubChem (CID 2943723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).