1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine

C11H18N2O2S2 — CID 770545

IUPAC1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-2-17(14,15)13-7-5-12(6-8-13)10-11-4-3-9-16-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyNDESGKVHGOZNCK-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.22
Rot. Bonds4

About 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine

1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine (PubChem CID 770545) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine
PubChem CID770545
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-2-17(14,15)13-7-5-12(6-8-13)10-11-4-3-9-16-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyNDESGKVHGOZNCK-UHFFFAOYSA-N
XLogP1.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine (CID 770545) is 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine is CCS(=O)(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine?
The InChIKey is NDESGKVHGOZNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-2-17(14,15)13-7-5-12(6-8-13)10-11-4-3-9-16-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine?
1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 770545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).