(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone

C11H16N2OS2 — CID 107021585

IUPAC(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(S)cs2)CC1
InChIInChI=1S/C11H16N2OS2/c1-2-12-3-5-13(6-4-12)11(14)10-7-9(15)8-16-10/h7-8,15H,2-6H2,1H3
InChIKeyOHYNLFDTKMOHEZ-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.81
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone

(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone (PubChem CID 107021585) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
PubChem CID107021585
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(S)cs2)CC1
InChIInChI=1S/C11H16N2OS2/c1-2-12-3-5-13(6-4-12)11(14)10-7-9(15)8-16-10/h7-8,15H,2-6H2,1H3
InChIKeyOHYNLFDTKMOHEZ-UHFFFAOYSA-N
XLogP1.81
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107026594
(3,3-dimethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107032413
(4-sulfanylthiophen-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107029877
(3-hydroxyazetidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 131140557
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107034180
[4-(2-fluorophenyl)piperazin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107023625
(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107023690
(4-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107036453
4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
CID 107031711
(3-aminopyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107027846
[3-(methoxymethyl)piperidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107037197
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone (CID 107021585) is (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone is CCN1CCN(C(=O)c2cc(S)cs2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The InChIKey is OHYNLFDTKMOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-2-12-3-5-13(6-4-12)11(14)10-7-9(15)8-16-10/h7-8,15H,2-6H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone has a molecular weight of 256.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone is sourced from PubChem (CID 107021585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).