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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Related Compounds

1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperidine
CID 718928
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2531261
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
US10807974, Example 34
CID 130345119
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
[5-[(4-Methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 43155654
1-(4-Fluorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770625
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
[5-(Piperidine-1-sulfonyl)thiophen-2-yl]methanamine
CID 16227277

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).